[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H24O3S MolecularWeight: 356.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H24O3S/c1-13(2)15-5-7-16(8-6-15)19(22)11-24-21(23)18-12-25-20-10-14(3)4-9-17(18)20/h5-8,12-14H,4,9-11H2,1-3H3