(3-ethanoylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-ethanoylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-acetylphenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-acetylphenyl) ester Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H16O3S/c1-11(18)12-6-4-7-14(9-12)20-17(19)16-10-13-5-2-3-8-15(13)21-16/h4,6-7,9-10H,2-3,5,8H2,1H3