(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)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-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)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-butyl-2,6-dimethyl-benzyl) ester Formula: C31H31NO2S MolecularWeight: 481.64834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C3CCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C3CCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52)C)C(C)(C)C

InChI

InChI=1S/C31H31NO2S/c1-19-15-22(31(3,4)5)16-20(2)26(19)18-34-30(33)28-24-10-6-7-11-27(24)32-29-21(12-13-25(28)29)17-23-9-8-14-35-23/h6-11,14-17H,12-13,18H2,1-5H3