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

Systemtic Name: 2-methyl-3-[[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 2-methyl-3-[[2-(p-tolylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-3-(4-methylphenyl)-1-oxopropyl]amino]-2-methylbenzoic acid IUPAC Name: 2-methyl-3-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-3-(p-tolyl)propanoyl]amino]-2-methyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-12-6-8-14(9-7-12)10-15(11-24)18(21)20-17-5-3-4-16(13(17)2)19(22)23/h3-9,15,24H,10-11H2,1-2H3,(H,20,21)(H,22,23)