[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N3CCC4=C(C3)C=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N3CCC4=C(C3)C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3S/c1-17-7-8-22-20(13-17)21(14-23(27-22)18-5-3-2-4-6-18)26(30)31-16-25(29)28-11-9-24-19(15-28)10-12-32-24/h2-8,10,12-14H,9,11,15-16H2,1H3