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MXM : Summary
Code
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MXM
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One-letter code
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X
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Molecule name
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4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
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Systematic names
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Formula
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C14 H13 N3 O4 S2
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Formal charge
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0
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Molecular weight
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351.401 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C |
SMILES
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CACTVS |
3.385 |
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O |
Canonical SMILES
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CACTVS |
3.385 |
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O |
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IUPAC InChI | InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) |
IUPAC InChI key | ZRVUJXDFFKFLMG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-08-09
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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