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

Systemtic Name: pentyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid amyl ester Formula: C26H33ClFNO6S MolecularWeight: 542.059723

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClFNO6S/c1-5-7-10-13-35-26(33)18-12-9-8-11-17(18)24(31)29(23(30)6-2)21-15-22(19(27)14-20(21)28)36-16(3)25(32)34-4/h14-16H,5-13H2,1-4H3