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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(S2)CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(S2)CCCC3)C)C

InChI

InChI=1S/C20H22O3S/c1-12-8-14(3)16(9-13(12)2)17(21)11-23-20(22)19-10-15-6-4-5-7-18(15)24-19/h8-10H,4-7,11H2,1-3H3