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

Systemtic Name: pentyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]-propionyl-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)SCC(=O)OC)C(=O)CC

Isomeric SMILES

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

InChI

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