ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-7-methoxy-6-oxidanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-7-methoxy-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-7-methoxy-quinoline-3-carboxylate CAS Name: 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-7-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-7-methoxyquinoline-3-carboxylate Traditional Name: 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-7-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN(C)C)O)OC)CS(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN(C)C)O)OC)CS(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O5S/c1-5-31-23(28)17-10-16-18(12-26(2)3)22(27)21(30-4)11-19(16)25-20(17)13-32(29)15-8-6-14(24)7-9-15/h6-11,27H,5,12-13H2,1-4H3