6-ethoxy-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6-ethoxy-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethoxy-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethoxy-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethoxy-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethoxy-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]quinoline-3-carbonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C20H23N3O2S/c1-3-25-17-6-7-18-15(10-17)9-16(11-21)20(22-18)26-13-19(24)23-8-4-5-14(2)12-23/h6-7,9-10,14H,3-5,8,12-13H2,1-2H3