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

Systemtic Name: pentyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C27H35ClFNO6S MolecularWeight: 556.086303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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