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

Systemtic Name: (4-methylphenyl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: p-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 (4-methylphenyl)methyl ester IUPAC Name: (4-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 (4-methylbenzyl) ester Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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