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

Systemtic Name: 6-ethoxy-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethoxy-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethoxy-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethoxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethoxy-2-[[2-keto-2-(2-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)N3CCCCC3C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCC3C

InChI

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