ethyl 2-[(4-fluorophenyl)sulfinylmethyl]-5-(imidazol-1-ylmethyl)-7-methoxy-6-oxidanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)sulfinylmethyl]-5-(imidazol-1-ylmethyl)-7-methoxy-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-quinoline-3-carboxylate CAS Name: 2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-5-(1-imidazolylmethyl)-7-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxyquinoline-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)sulfinylmethyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C24H22FN3O5S MolecularWeight: 483.511983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3)O)OC)CS(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3)O)OC)CS(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O5S/c1-3-33-24(30)18-10-17-19(12-28-9-8-26-14-28)23(29)22(32-2)11-20(17)27-21(18)13-34(31)16-6-4-15(25)5-7-16/h4-11,14,29H,3,12-13H2,1-2H3