2-methylsulfanylethyl N-[6-[2,3-bis(fluoranyl)phenyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: 2-methylsulfanylethyl N-[6-[2,3-bis(fluoranyl)phenyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: 2-methylsulfanylethyl N-[6-(2,3-difluorophenyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[6-(2,3-difluorophenyl)-2-oxo-3-azepanyl]carbamic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl N-[6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[6-(2,3-difluorophenyl)-2-keto-azepan-3-yl]carbamic acid 2-(methylthio)ethyl ester Formula: C16H20F2N2O3S MolecularWeight: 358.403406

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)NC1CCC(CNC1=O)C2=C(C(=CC=C2)F)F

Isomeric SMILES

CSCCOC(=O)NC1CCC(CNC1=O)C2=C(C(=CC=C2)F)F

InChI

InChI=1S/C16H20F2N2O3S/c1-24-8-7-23-16(22)20-13-6-5-10(9-19-15(13)21)11-3-2-4-12(17)14(11)18/h2-4,10,13H,5-9H2,1H3,(H,19,21)(H,20,22)