[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-17(2)25(19-12-8-5-9-13-19)21(26)16-29-23(28)20(14-15-30-3)24-22(27)18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3,(H,24,27)