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

Systemtic Name: (phenylmethyl) (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C25H19NO2S MolecularWeight: 397.48886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CS4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CS4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H19NO2S/c27-25(28-16-17-7-2-1-3-8-17)23-20-10-4-5-11-22(20)26-24-18(12-13-21(23)24)15-19-9-6-14-29-19/h1-11,14-15H,12-13,16H2/b18-15+