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

Systemtic Name: 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO6S/c1-3-17(24)23(19(26)11-6-4-5-7-12(11)20(27)28)15-9-16(13(21)8-14(15)22)30-10-18(25)29-2/h8-9H,3-7,10H2,1-2H3,(H,27,28)