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

Systemtic Name: propyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H25ClFNO6S MolecularWeight: 485.953403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFNO6S/c1-4-9-31-22(29)15-8-6-5-7-14(15)21(28)25(13(2)26)18-11-19(16(23)10-17(18)24)32-12-20(27)30-3/h10-11H,4-9,12H2,1-3H3