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

Systemtic Name: 2-methoxyethyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C22H25ClFNO7S MolecularWeight: 501.952803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=C(C=C1F)Cl)SCC(=O)OC)C(=O)C2=C(CCCC2)C(=O)OCCOC

Isomeric SMILES

CC(=O)N(C1=CC(=C(C=C1F)Cl)SCC(=O)OC)C(=O)C2=C(CCCC2)C(=O)OCCOC

InChI

InChI=1S/C22H25ClFNO7S/c1-13(26)25(18-11-19(16(23)10-17(18)24)33-12-20(27)31-3)21(28)14-6-4-5-7-15(14)22(29)32-9-8-30-2/h10-11H,4-9,12H2,1-3H3