C0W
Summary
| Name: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid |
| Formula: | C11 H8 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 236.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8O2S2/c12-11(13)9(14)5-7-6-15-10-4-2-1-3-8(7)10/h1-6,14H,(H,12,13)/b9-5- |
| InChIKey | InChI | 1.03 | RAMCKYVBVNEIFT-UITAMQMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(S)=C\c1csc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C(S)=Cc1csc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cs2)C=C(C(=O)O)S |
