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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c21-18(20-11-10-14-6-2-1-3-7-14)13-23-19(22)17-12-15-8-4-5-9-16(15)24-17/h1-3,6-7,12H,4-5,8-11,13H2,(H,20,21)