2-[[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[[(4-chlorophenyl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[(4-chlorophenyl)thio]methyl]thiazol-2-yl]carbamoyl]benzoic acid Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O3S2/c19-11-5-7-13(8-6-11)25-9-12-10-26-18(20-12)21-16(22)14-3-1-2-4-15(14)17(23)24/h1-8,10H,9H2,(H,23,24)(H,20,21,22)