2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-6-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-6-ethoxy-quinoline-3-carbonitrile Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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