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

Systemtic Name: 2-[[1-[5-ethyl-3-(phenylcarbonyl)thiophen-2-yl]-5-methyl-pyrrol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(3-benzoyl-5-ethyl-2-thienyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(3-benzoyl-5-ethyl-2-thiophenyl)-5-methyl-2-pyrrolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(3-benzoyl-5-ethylthiophen-2-yl)-5-methylpyrrol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(3-benzoyl-5-ethyl-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:

CCC1=CC(=C(S1)N2C(=CC=C2CN3C(=O)C4=CC=CC=C4C3=O)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=C(S1)N2C(=CC=C2CN3C(=O)C4=CC=CC=C4C3=O)C)C(=O)C5=CC=CC=C5

InChI

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