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

Systemtic Name: ethyl (1R,6S)-6-(4-ethoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6S)-6-(4-ethoxyphenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-(4-ethoxyphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6S)-6-(4-ethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-2-keto-6-p-phenetyl-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@@H]2C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C21H22O4S/c1-3-24-16-9-7-14(8-10-16)17-12-15(19-6-5-11-26-19)13-18(22)20(17)21(23)25-4-2/h5-11,13,17,20H,3-4,12H2,1-2H3/t17-,20-/m1/s1