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PDBeChem : Molecule Descriptors
Molecule : UL1
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6- |
2 |
InChIKey
|
InChI |
1.03 |
XVAIHVYMCLRIOV-POHAHGRESA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC |
4 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1OC)C=C2SC(=S)NC2=O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1OC)\C=C\2SC(=S)NC\2=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 |
|