2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-7-ethoxy-quinoline-3-carbonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C#N

InChI

InChI=1S/C23H21N3O2S/c1-2-28-19-10-9-17-12-18(14-24)23(25-20(17)13-19)29-15-22(27)26-11-5-7-16-6-3-4-8-21(16)26/h3-4,6,8-10,12-13H,2,5,7,11,15H2,1H3