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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-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-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C23H28N2O5S/c1-13-7-6-8-17(11-13)22(28)25-18(9-10-31-5)23(29)30-12-19(27)21-14(2)20(16(4)26)15(3)24-21/h6-8,11,18,24H,9-10,12H2,1-5H3,(H,25,28)