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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C20H22O3S/c1-3-14-5-7-15(8-6-14)17(21)12-23-20(22)19-11-16-10-13(2)4-9-18(16)24-19/h5-8,11,13H,3-4,9-10,12H2,1-2H3