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

Systemtic Name: ethyl 6-(2,5-dimethoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(2,5-dimethoxyphenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: 6-(2,5-dimethoxyphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,5-dimethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: 6-(2,5-dimethoxyphenyl)-2-keto-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-4-26-21(23)20-16(15-12-14(24-2)7-8-18(15)25-3)10-13(11-17(20)22)19-6-5-9-27-19/h5-9,11-12,16,20H,4,10H2,1-3H3