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

Systemtic Name: 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[N-acetyl-4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=C(C=C(C(=C1)N(C(=O)C)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

Isomeric SMILES

CC(C(=O)OC)SC1=C(C=C(C(=C1)N(C(=O)C)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

InChI

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