[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]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] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H22N2O5S/c1-11-17(13(3)22)12(2)21-18(11)15(23)9-26-16(24)5-4-7-20-19(25)14-6-8-27-10-14/h6,8,10,21H,4-5,7,9H2,1-3H3,(H,20,25)