ethyl 4-(3-bromanylthiophen-2-yl)-6-(2,5-dimethoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-(3-bromanylthiophen-2-yl)-6-(2,5-dimethoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(3-bromo-2-thienyl)-6-(2,5-dimethoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-bromo-2-thiophenyl)-6-(2,5-dimethoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromothiophen-2-yl)-6-(2,5-dimethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-bromo-2-thienyl)-6-(2,5-dimethoxyphenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H21BrO5S MolecularWeight: 465.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CS2)Br)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CS2)Br)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H21BrO5S/c1-4-27-21(24)19-15(14-11-13(25-2)5-6-18(14)26-3)9-12(10-17(19)23)20-16(22)7-8-28-20/h5-8,10-11,15,19H,4,9H2,1-3H3