[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C)C

InChI

InChI=1S/C20H22N2O6S/c1-10-12(3)29-19(22-13(4)23)17(10)20(25)28-11(2)18(24)21-8-14-5-6-15-16(7-14)27-9-26-15/h5-7,11H,8-9H2,1-4H3,(H,21,24)(H,22,23)