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

Systemtic Name: pentyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-acetyl-4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[acetyl-[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]carbamoyl]cyclohexene-1-carboxylic acid amyl ester Formula: C25H31ClFNO6S MolecularWeight: 528.033143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClFNO6S/c1-5-6-9-12-34-25(32)18-11-8-7-10-17(18)23(30)28(16(3)29)21-14-22(19(26)13-20(21)27)35-15(2)24(31)33-4/h13-15H,5-12H2,1-4H3