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

Systemtic Name: 2-methoxyethyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C26H33ClFNO7S MolecularWeight: 558.059123

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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)OCCOC)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClFNO7S/c1-4-6-11-35-24(31)16-37-22-15-21(20(28)14-19(22)27)29(23(30)5-2)25(32)17-9-7-8-10-18(17)26(33)36-13-12-34-3/h14-15H,4-13,16H2,1-3H3