3-[[2-(ethanoylsulfanylmethyl)-3-(4-methylphenyl)propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-(4-methylphenyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-(p-tolyl)propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-3-(4-methylphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-(4-methylphenyl)propanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(p-tolyl)propanoyl]amino]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CSC(=O)C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(CSC(=O)C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-13-6-8-15(9-7-13)10-17(12-26-14(2)22)19(23)21-18-5-3-4-16(11-18)20(24)25/h3-9,11,17H,10,12H2,1-2H3,(H,21,23)(H,24,25)