(3-methylphenyl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (3-methylphenyl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: m-tolylmethyl (3E)-3-(2-thienylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-methylbenzyl) ester Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C3CCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C3CC/C(=C\C4=CC=CS4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C26H21NO2S/c1-17-6-4-7-18(14-17)16-29-26(28)24-21-9-2-3-10-23(21)27-25-19(11-12-22(24)25)15-20-8-5-13-30-20/h2-10,13-15H,11-12,16H2,1H3/b19-15+