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

Systemtic Name: 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[N-acetyl-5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C22H25ClFNO6S MolecularWeight: 485.953403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFNO6S/c1-3-4-9-31-20(27)12-32-19-11-18(17(24)10-16(19)23)25(13(2)26)21(28)14-7-5-6-8-15(14)22(29)30/h10-11H,3-9,12H2,1-2H3,(H,29,30)