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

Systemtic Name: pentyl 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid amyl ester Formula: C26H33ClFNO6S MolecularWeight: 542.059723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OCC)C(=O)CC

Isomeric SMILES

CCCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OCC)C(=O)CC

InChI

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