butyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: butyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[acetyl-[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-acetyl-5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 2-[acetyl-[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C26H33ClFNO6S MolecularWeight: 542.059723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClFNO6S/c1-4-6-12-34-24(31)16-36-23-15-22(21(28)14-20(23)27)29(17(3)30)25(32)18-10-8-9-11-19(18)26(33)35-13-7-5-2/h14-15H,4-13,16H2,1-3H3