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

Systemtic Name: (4-tert-butylphenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-(2-thienylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-(2-thenylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylbenzyl) ester Formula: C29H27NO2S MolecularWeight: 453.59518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO2S/c1-29(2,3)21-13-10-19(11-14-21)18-32-28(31)26-23-8-4-5-9-25(23)30-27-20(12-15-24(26)27)17-22-7-6-16-33-22/h4-11,13-14,16-17H,12,15,18H2,1-3H3