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

Systemtic Name: 2-methyl-3-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]benzoic acid Openeye Name: 2-methyl-3-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]benzoic acid CAS Name: 3-[(2-mercapto-2-methyl-1-oxo-3-phenylpropyl)amino]-2-methylbenzoic acid IUPAC Name: 2-methyl-3-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]benzoic acid Traditional Name: 3-[(2-mercapto-2-methyl-3-phenyl-propanoyl)amino]-2-methyl-benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)(CC2=CC=CC=C2)S)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(C)(CC2=CC=CC=C2)S)C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-12-14(16(20)21)9-6-10-15(12)19-17(22)18(2,23)11-13-7-4-3-5-8-13/h3-10,23H,11H2,1-2H3,(H,19,22)(H,20,21)