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

Systemtic Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-7-methoxy-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxy-quinoline-3-carboxylate CAS Name: 5-(dimethylaminomethyl)-2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylaminomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxyquinoline-3-carboxylate Traditional Name: 5-(dimethylaminomethyl)-2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN(C)C)O)OC)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN(C)C)O)OC)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O4S/c1-5-30-23(28)17-10-16-18(12-26(2)3)22(27)21(29-4)11-19(16)25-20(17)13-31-15-8-6-14(24)7-9-15/h6-11,27H,5,12-13H2,1-4H3