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

Systemtic Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-7-methoxy-6-oxidanyl-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxy-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate CAS Name: 2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-5-(1-pyrrolidinylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-6-hydroxy-7-methoxy-5-(pyrrolidin-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 2-[[(4-fluorophenyl)thio]methyl]-6-hydroxy-7-methoxy-5-(pyrrolidinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCC3)O)OC)CSC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3CCCC3)O)OC)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN2O4S/c1-3-32-25(30)19-12-18-20(14-28-10-4-5-11-28)24(29)23(31-2)13-21(18)27-22(19)15-33-17-8-6-16(26)7-9-17/h6-9,12-13,29H,3-5,10-11,14-15H2,1-2H3