[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-16(2)19-12-8-9-17(3)22(19)26-21(27)15-30-24(29)20(13-14-31-4)25-23(28)18-10-6-5-7-11-18/h5-12,16,20H,13-15H2,1-4H3,(H,25,28)(H,26,27)