7-ethoxy-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 7-ethoxy-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 7-ethoxy-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 7-ethoxy-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 7-ethoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 7-ethoxy-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]quinoline-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C21H18N2O3S/c1-3-26-18-9-6-15-10-16(12-22)21(23-19(15)11-18)27-13-20(24)14-4-7-17(25-2)8-5-14/h4-11H,3,13H2,1-2H3