5-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-2-chloro-benzoic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H19ClN2O4S/c1-14(27)25-16-8-5-9-18(12-16)31-21(15-6-3-2-4-7-15)22(28)26-17-10-11-20(24)19(13-17)23(29)30/h2-13,21H,1H3,(H,25,27)(H,26,28)(H,29,30)