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

Systemtic Name: ethyl (1R,6R)-6-(2-methylphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6R)-6-(o-tolyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-(2-methylphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R)-6-(2-methylphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-2-keto-6-(o-tolyl)-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3C

InChI

InChI=1S/C20H20O3S/c1-3-23-20(22)19-16(15-8-5-4-7-13(15)2)11-14(12-17(19)21)18-9-6-10-24-18/h4-10,12,16,19H,3,11H2,1-2H3/t16-,19+/m0/s1