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

Systemtic Name: 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[N-acetyl-4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C19H19ClFNO6S MolecularWeight: 443.873663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFNO6S/c1-10(23)22(18(25)11-5-3-4-6-12(11)19(26)27)15-8-16(13(20)7-14(15)21)29-9-17(24)28-2/h7-8H,3-6,9H2,1-2H3,(H,26,27)