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

Systemtic Name: 3-[[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(p-tolylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-3-(4-methylphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-3-(p-tolyl)propanoyl]amino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-5-7-13(8-6-12)9-15(11-23)17(20)19-16-4-2-3-14(10-16)18(21)22/h2-8,10,15,23H,9,11H2,1H3,(H,19,20)(H,21,22)