[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO5S/c1-12-15-5-3-4-6-18(15)28-19(12)21(24)27-13(2)20(23)22-10-14-7-8-16-17(9-14)26-11-25-16/h3-9,13H,10-11H2,1-2H3,(H,22,23)/t13-/m0/s1