ethyl 2-[(4-fluorophenyl)sulfonylmethyl]-8-(imidazol-1-ylmethyl)-6-methoxy-7-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)sulfonylmethyl]-8-(imidazol-1-ylmethyl)-6-methoxy-7-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)sulfonylmethyl]-8-(imidazol-1-ylmethyl)-6-methoxy-7-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(4-fluorophenyl)sulfonylmethyl]-8-(1-imidazolylmethyl)-6-methoxy-7-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)sulfonylmethyl]-8-(imidazol-1-ylmethyl)-6-methoxy-7-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)sulfonylmethyl]-8-(imidazol-1-ylmethyl)-7-keto-6-methoxy-1H-quinoline-3-carboxylic acid ethyl ester Formula: C24H22FN3O6S MolecularWeight: 499.511383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O6S/c1-3-34-24(30)18-10-15-11-21(33-2)23(29)19(12-28-9-8-26-14-28)22(15)27-20(18)13-35(31,32)17-6-4-16(25)5-7-17/h4-11,14,27H,3,12-13H2,1-2H3