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

Systemtic Name: 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[N-acetyl-4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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