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

Systemtic Name: pentyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C24H29ClFNO6S MolecularWeight: 514.006563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClFNO6S/c1-4-5-8-11-33-24(31)17-10-7-6-9-16(17)23(30)27(15(2)28)20-13-21(18(25)12-19(20)26)34-14-22(29)32-3/h12-13H,4-11,14H2,1-3H3