[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C27H34N2O5S/c1-17(24(31)19-9-13-22(14-10-19)28-18(2)30)34-26(33)23(15-16-35-6)29-25(32)20-7-11-21(12-8-20)27(3,4)5/h7-14,17,23H,15-16H2,1-6H3,(H,28,30)(H,29,32)