[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H22O3S/c1-12-4-6-16(14(3)8-12)17(21)11-23-20(22)19-10-15-9-13(2)5-7-18(15)24-19/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1