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

Systemtic Name: 4-(1,3-thiazol-2-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(thiazol-2-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(2-thiazolylthio)methyl]benzoic acid IUPAC Name: 4-(1,3-thiazol-2-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(thiazol-2-ylthio)methyl]benzoic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=CS2)C(=O)O

InChI

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