[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)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 [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (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 [(1S)-2-keto-1-methyl-2-(p-tolyl)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)OC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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