2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[(2-indolin-1-yl-2-keto-ethyl)thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)C#N)OC

InChI

InChI=1S/C22H19N3O3S/c1-27-19-10-15-9-16(12-23)22(24-17(15)11-20(19)28-2)29-13-21(26)25-8-7-14-5-3-4-6-18(14)25/h3-6,9-11H,7-8,13H2,1-2H3