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

Systemtic Name: [2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylphenyl)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-(4-butan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylphenyl)-2-oxoethyl] 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-(4-sec-butylphenyl)ethyl] ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C22H26O3S/c1-4-15(3)16-6-8-17(9-7-16)19(23)13-25-22(24)21-12-18-11-14(2)5-10-20(18)26-21/h6-9,12,14-15H,4-5,10-11,13H2,1-3H3