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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-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] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)CC

InChI

InChI=1S/C21H25NO5S/c1-4-6-18-15(5-2)10-19(28-18)21(24)27-13(3)20(23)22-11-14-7-8-16-17(9-14)26-12-25-16/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)