5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(4-acetamidophenyl)thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(4-acetamidophenyl)thio]propanoylamino]-2-chloro-benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H17ClN2O4S/c1-10(26-14-6-3-12(4-7-14)20-11(2)22)17(23)21-13-5-8-16(19)15(9-13)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)