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

Systemtic Name: pentyl 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[acetyl-[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-acetyl-4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[acetyl-[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid amyl ester Formula: C25H31ClFNO6S MolecularWeight: 528.033143

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClFNO6S/c1-4-6-9-12-34-25(32)18-11-8-7-10-17(18)24(31)28(16(3)29)21-14-22(19(26)13-20(21)27)35-15-23(30)33-5-2/h13-14H,4-12,15H2,1-3H3