pentyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-(phenylcarbonyl)carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: pentyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-(phenylcarbonyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: pentyl 2-[benzoyl-[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-benzoyl-4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[benzoyl-[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[benzoyl-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]carbamoyl]cyclohexene-1-carboxylic acid amyl ester Formula: C30H33ClFNO6S MolecularWeight: 590.102523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SC(C)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SC(C)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H33ClFNO6S/c1-4-5-11-16-39-30(37)22-15-10-9-14-21(22)28(35)33(27(34)20-12-7-6-8-13-20)25-18-26(23(31)17-24(25)32)40-19(2)29(36)38-3/h6-8,12-13,17-19H,4-5,9-11,14-16H2,1-3H3