2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-ethoxy-quinoline-3-carbonitrile Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-4-28-17-6-7-18-15(10-17)9-16(12-23)22(24-18)29-13-19(25)14-5-8-20(26-2)21(11-14)27-3/h5-11H,4,13H2,1-3H3