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

Systemtic Name: propyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-(phenylcarbonyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C28H29ClFNO6S MolecularWeight: 562.049363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C28H29ClFNO6S/c1-4-14-37-28(35)20-13-9-8-12-19(20)26(33)31(25(32)18-10-6-5-7-11-18)23-16-24(21(29)15-22(23)30)38-17(2)27(34)36-3/h5-7,10-11,15-17H,4,8-9,12-14H2,1-3H3