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

Systemtic Name: ethyl (1S,6S)-4-(4-methylphenyl)-2-oxidanylidene-6-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-2-oxo-4-(p-tolyl)-6-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-methylphenyl)-2-oxo-6-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-methylphenyl)-2-oxo-6-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-4-(p-tolyl)-6-(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=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C20H20O3S/c1-3-23-20(22)19-16(18-5-4-10-24-18)11-15(12-17(19)21)14-8-6-13(2)7-9-14/h4-10,12,16,19H,3,11H2,1-2H3/t16-,19+/m1/s1