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

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

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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=C3C)C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H24O3S/c1-12-5-6-18-16(9-12)10-19(25-18)21(23)24-11-17(22)20-14(3)7-13(2)8-15(20)4/h7-8,10,12H,5-6,9,11H2,1-4H3