1-(4-chlorophenyl)-2-(3-ethyl-6,7-dimethoxy-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-(3-ethyl-6,7-dimethoxy-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(3-ethyl-6,7-dimethoxy-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(3-ethyl-6,7-dimethoxy-2-quinolinyl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-(3-ethyl-6,7-dimethoxyquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[(3-ethyl-6,7-dimethoxy-2-quinolyl)thio]ethanone Formula: C21H20ClNO3S MolecularWeight: 401.9064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-4-13-9-15-10-19(25-2)20(26-3)11-17(15)23-21(13)27-12-18(24)14-5-7-16(22)8-6-14/h5-11H,4,12H2,1-3H3