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

Systemtic Name: 3-cyanopropyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: 3-cyanopropyl (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-cyanopropyl ester IUPAC Name: 3-cyanopropyl (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-cyanopropyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CS4)C(=O)OCCCC#N

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CS4)C(=O)OCCCC#N

InChI

InChI=1S/C22H18N2O2S/c23-11-3-4-12-26-22(25)20-17-7-1-2-8-19(17)24-21-15(9-10-18(20)21)14-16-6-5-13-27-16/h1-2,5-8,13-14H,3-4,9-10,12H2/b15-14+