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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H24O3S/c1-4-15-7-8-19-16(10-15)11-20(25-19)21(23)24-12-18(22)17-9-13(2)5-6-14(17)3/h5-6,9,11,15H,4,7-8,10,12H2,1-3H3/t15-/m0/s1