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PDBeChem : Molecule Descriptors
Molecule : 6V9
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8) |
2 |
InChIKey
|
InChI |
1.03 |
QCXCIYPOMMIBHO-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Cc1sc(cn1)C(O)=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.5 |
Cc1ncc(s1)C(=O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1sc(cn1)C(O)=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
Cc1ncc(s1)C(=O)O |
|