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

Systemtic Name: 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-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)SCC(=O)OCC)C(=O)C2=C(CCCC2)C(=O)O

Isomeric SMILES

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

InChI

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