2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C#N)OC

InChI

InChI=1S/C23H21N3O3S/c1-28-20-11-16-10-17(13-24)23(25-18(16)12-21(20)29-2)30-14-22(27)26-9-5-7-15-6-3-4-8-19(15)26/h3-4,6,8,10-12H,5,7,9,14H2,1-2H3