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

Systemtic Name: [(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino] benzoate Openeye Name: [(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino] benzoate CAS Name: benzoic acid [(2-mercapto-2-methyl-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino] benzoate Traditional Name: benzoic acid [(2-mercapto-2-methyl-3-phenyl-propanoyl)amino] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NOC(=O)C2=CC=CC=C2)S

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NOC(=O)C2=CC=CC=C2)S

InChI

InChI=1S/C17H17NO3S/c1-17(22,12-13-8-4-2-5-9-13)16(20)18-21-15(19)14-10-6-3-7-11-14/h2-11,22H,12H2,1H3,(H,18,20)