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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-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-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-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-(2,4,5-trimethylphenyl)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=CC(=C(C=C3C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24O3S/c1-12-5-6-19-16(7-12)10-20(25-19)21(23)24-11-18(22)17-9-14(3)13(2)8-15(17)4/h8-10,12H,5-7,11H2,1-4H3