butyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: butyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-acetyl-4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C23H27ClFNO6S MolecularWeight: 499.979983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OC)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OC)C(=O)C

InChI

InChI=1S/C23H27ClFNO6S/c1-4-5-10-32-23(30)16-9-7-6-8-15(16)22(29)26(14(2)27)19-12-20(17(24)11-18(19)25)33-13-21(28)31-3/h11-12H,4-10,13H2,1-3H3