2-[[3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-oxo-2-(2-thienyl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-[(2-oxo-2-thiophen-2-ylethyl)thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[3-(2-oxo-2-thiophen-2-ylethyl)sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-keto-2-(2-thienyl)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C20H15NO4S2/c22-17(18-9-4-10-26-18)12-27-14-6-3-5-13(11-14)21-19(23)15-7-1-2-8-16(15)20(24)25/h1-11H,12H2,(H,21,23)(H,24,25)