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

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

Isomeric SMILES

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OCC)C(=O)CC

InChI

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