methyl 5-[[4-[2-[3-(trifluoromethylsulfanyl)phenyl]ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-[3-(trifluoromethylsulfanyl)phenyl]ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-[3-(trifluoromethylsulfanyl)phenyl]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-[3-(trifluoromethylthio)phenyl]ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-[3-(trifluoromethylsulfanyl)phenyl]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[3-(trifluoromethylthio)phenyl]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-29-20(28)18-7-6-16(30-18)14-25-8-3-9-26(11-10-25)19(27)13-15-4-2-5-17(12-15)31-21(22,23)24/h2,4-7,12H,3,8-11,13-14H2,1H3