2-(1,3-thiazol-4-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(thiazol-4-ylmethylsulfanyl)benzoic acid CAS Name: 2-(4-thiazolylmethylthio)benzoic acid IUPAC Name: 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC=N2

InChI

InChI=1S/C11H9NO2S2/c13-11(14)9-3-1-2-4-10(9)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14)