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

Systemtic Name: 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO6S/c1-4-18(25)24(19(26)12-7-5-6-8-13(12)20(27)28)16-10-17(14(22)9-15(16)23)31-11(2)21(29)30-3/h9-11H,4-8H2,1-3H3,(H,27,28)