[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(2-thienylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-(2-thenylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

InChI

InChI=1S/C26H26N2O3S/c29-23(28-13-5-1-2-6-14-28)17-31-26(30)24-20-9-3-4-10-22(20)27-25-18(11-12-21(24)25)16-19-8-7-15-32-19/h3-4,7-10,15-16H,1-2,5-6,11-14,17H2