[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H34N2O5S/c1-15-22(17(3)29)16(2)27-23(15)21(30)14-33-25(32)20(12-13-34-7)28-24(31)18-8-10-19(11-9-18)26(4,5)6/h8-11,20,27H,12-14H2,1-7H3,(H,28,31)