propyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-(3-fluorophenyl)carbonyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: propyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]-(3-fluorophenyl)carbonyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-N-[(3-fluorophenyl)-oxomethyl]-5-[(2-methoxy-2-oxoethyl)thio]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylic acid propyl ester Formula: C27H26ClF2NO6S MolecularWeight: 566.013246

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OC)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OC)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C27H26ClF2NO6S/c1-3-11-37-27(35)19-10-5-4-9-18(19)26(34)31(25(33)16-7-6-8-17(29)12-16)22-14-23(20(28)13-21(22)30)38-15-24(32)36-2/h6-8,12-14H,3-5,9-11,15H2,1-2H3