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

Systemtic Name: butyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H31ClFNO6S MolecularWeight: 528.033143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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