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

Systemtic Name: 2-ethoxyethyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-ethoxyethyl 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 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 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 2-ethoxyethyl ester Formula: C25H31ClFNO7S MolecularWeight: 544.032543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC(=C(C=C1F)Cl)SC(C)C(=O)OC)C(=O)C2=C(CCCC2)C(=O)OCCOCC

Isomeric SMILES

CCC(=O)N(C1=CC(=C(C=C1F)Cl)SC(C)C(=O)OC)C(=O)C2=C(CCCC2)C(=O)OCCOCC

InChI

InChI=1S/C25H31ClFNO7S/c1-5-22(29)28(20-14-21(18(26)13-19(20)27)36-15(3)24(31)33-4)23(30)16-9-7-8-10-17(16)25(32)35-12-11-34-6-2/h13-15H,5-12H2,1-4H3