ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-7-methoxy-5-[(2-methylimidazol-1-yl)methyl]-6-oxidanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-7-methoxy-5-[(2-methylimidazol-1-yl)methyl]-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxy-5-[(2-methylimidazol-1-yl)methyl]quinoline-3-carboxylate CAS Name: 2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-5-[(2-methyl-1-imidazolyl)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxy-5-[(2-methylimidazol-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-5-[(2-methylimidazol-1-yl)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3C)O)OC)CSC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3C)O)OC)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O4S/c1-4-33-25(31)19-11-18-20(13-29-10-9-27-15(29)2)24(30)23(32-3)12-21(18)28-22(19)14-34-17-7-5-16(26)6-8-17/h5-12,30H,4,13-14H2,1-3H3