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

Systemtic Name: phenacyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C26H19NO3S MolecularWeight: 425.49896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19NO3S/c28-23(17-7-2-1-3-8-17)16-30-26(29)24-20-10-4-5-11-22(20)27-25-18(12-13-21(24)25)15-19-9-6-14-31-19/h1-11,14-15H,12-13,16H2/b18-15+