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

Systemtic Name: [(1R)-1-cyanoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C2CCC(=CC3=CC=CS3)C2=NC4=CC=CC=C41

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C2CC/C(=C\C3=CC=CS3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C21H16N2O2S/c1-13(12-22)25-21(24)19-16-6-2-3-7-18(16)23-20-14(8-9-17(19)20)11-15-5-4-10-26-15/h2-7,10-11,13H,8-9H2,1H3/b14-11+/t13-/m1/s1