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

Systemtic Name: pentyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C28H37ClFNO6S MolecularWeight: 570.112883

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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)OCCCC)C(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClFNO6S/c1-4-7-11-15-37-28(35)20-13-10-9-12-19(20)27(34)31(25(32)6-3)23-17-24(21(29)16-22(23)30)38-18-26(33)36-14-8-5-2/h16-17H,4-15,18H2,1-3H3