[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C21H21NO5S/c1-12-3-5-15-9-19(28-18(15)7-12)21(24)27-13(2)20(23)22-10-14-4-6-16-17(8-14)26-11-25-16/h3-8,13,19H,9-11H2,1-2H3,(H,22,23)