ethyl (1S,6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-(furan-2-yl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-4-(furan-2-yl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-4-(2-furyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(2-furanyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2-chloro-6-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2-chloro-6-fluoro-phenyl)-4-(2-furyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C19H16ClFO4 MolecularWeight: 362.779343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=CO2)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CO2)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H16ClFO4/c1-2-24-19(23)18-12(17-13(20)5-3-6-14(17)21)9-11(10-15(18)22)16-7-4-8-25-16/h3-8,10,12,18H,2,9H2,1H3/t12-,18+/m1/s1