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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 7-ethoxy-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-ethoxyquinoline-3-carbonitrile Traditional Name: 7-ethoxy-2-[(2-indolin-1-yl-2-keto-ethyl)thio]quinoline-3-carbonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H19N3O2S/c1-2-27-18-8-7-16-11-17(13-23)22(24-19(16)12-18)28-14-21(26)25-10-9-15-5-3-4-6-20(15)25/h3-8,11-12H,2,9-10,14H2,1H3