2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoro-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C23H27ClFNO6S MolecularWeight: 499.979983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)CC)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)CC)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

InChI

InChI=1S/C23H27ClFNO6S/c1-3-5-10-32-21(28)13-33-19-12-18(17(25)11-16(19)24)26(20(27)4-2)22(29)14-8-6-7-9-15(14)23(30)31/h11-12H,3-10,13H2,1-2H3,(H,30,31)