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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC2=C(S1)CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC2=C(S1)CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c1-14(15-7-3-2-4-8-15)12-21-19(22)13-24-20(23)18-11-16-9-5-6-10-17(16)25-18/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3,(H,21,22)