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

Systemtic Name: butyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoro-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 2-[[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C27H35ClFNO6S MolecularWeight: 556.086303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClFNO6S/c1-4-7-13-35-25(32)17-37-23-16-22(21(29)15-20(23)28)30(24(31)6-3)26(33)18-11-9-10-12-19(18)27(34)36-14-8-5-2/h15-16H,4-14,17H2,1-3H3