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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c20-17(19-11-13-6-2-1-3-7-13)12-22-18(21)16-10-14-8-4-5-9-15(14)23-16/h1-3,6-7,10H,4-5,8-9,11-12H2,(H,19,20)