4-[[4-(4-chlorophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-chlorophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-chlorophenyl)sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(4-chlorophenyl)thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(4-chlorophenyl)thio]anilino]-4-keto-butyric acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO3S/c17-11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)