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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-ethoxy-quinoline-3-carbonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C20H23N3O2S/c1-2-25-17-8-7-15-11-16(13-21)20(22-18(15)12-17)26-14-19(24)23-9-5-3-4-6-10-23/h7-8,11-12H,2-6,9-10,14H2,1H3