methyl 3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylate

Systemtic Name: methyl 3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylate Openeye Name: methyl 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]azetidine-3-carboxylate CAS Name: 3-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylate Traditional Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]azetidine-3-carboxylic acid methyl ester Formula: C24H27FN2O3S2 MolecularWeight: 474.611183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CN(C3)CCSC4=CC=CS4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CN(C3)CCSC4=CC=CS4)C(=O)OC

InChI

InChI=1S/C24H27FN2O3S2/c1-29-17-7-8-21-19(13-17)18(20(25)14-26-21)5-3-9-24(23(28)30-2)15-27(16-24)10-12-32-22-6-4-11-31-22/h4,6-8,11,13-14H,3,5,9-10,12,15-16H2,1-2H3