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

Systemtic Name: ethyl (1S,6S)-6-(2,3-dimethoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(2,3-dimethoxyphenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(2,3-dimethoxyphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(2,3-dimethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2,3-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)[C@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H22O5S/c1-4-26-21(23)19-15(14-7-5-8-17(24-2)20(14)25-3)11-13(12-16(19)22)18-9-6-10-27-18/h5-10,12,15,19H,4,11H2,1-3H3/t15-,19+/m1/s1