[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C29H24N2O3S MolecularWeight: 480.57746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C

InChI

InChI=1S/C29H24N2O3S/c1-18-10-12-21(13-11-18)31-19(2)15-23(20(31)3)27(32)17-34-29(33)24-16-26(28-9-6-14-35-28)30-25-8-5-4-7-22(24)25/h4-16H,17H2,1-3H3