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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C23H24N2O4S/c1-16-13-20(17(2)25(16)19-7-4-3-5-8-19)21(26)14-29-22(27)9-6-11-24-23(28)18-10-12-30-15-18/h3-5,7-8,10,12-13,15H,6,9,11,14H2,1-2H3,(H,24,28)