2-[[1-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]-5-methyl-pyrrol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]-5-methyl-pyrrol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(3-benzoyl-4,5-dimethyl-2-thienyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(3-benzoyl-4,5-dimethyl-2-thiophenyl)-5-methyl-2-pyrrolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(3-benzoyl-4,5-dimethylthiophen-2-yl)-5-methylpyrrol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(3-benzoyl-4,5-dimethyl-2-thienyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-quinone Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N2O3S/c1-16-13-14-20(15-28-25(31)21-11-7-8-12-22(21)26(28)32)29(16)27-23(17(2)18(3)33-27)24(30)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3