[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c22-19(21-12-6-9-15-7-2-1-3-8-15)13-24-20(23)17-14-25-18-11-5-4-10-16(17)18/h1-3,7-8,14H,4-6,9-13H2,(H,21,22)