ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholin-4-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholin-4-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholinomethyl)quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholin-4-ylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholin-4-ylmethyl)quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C27H32N2O6S MolecularWeight: 512.61778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3CCSCC3)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3CCSCC3)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H32N2O6S/c1-6-35-27(30)26-20(16-29-9-11-36-12-10-29)28-19-15-24(34-5)23(33-4)14-18(19)25(26)17-7-8-21(31-2)22(13-17)32-3/h7-8,13-15H,6,9-12,16H2,1-5H3