[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-isopropylthieno[3,2-b]pyrrole-5-carboxylate CAS Name: 4-propan-2-yl-5-thieno[3,2-b]pyrrolecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-isopropylthieno[3,2-b]pyrrole-5-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C1C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

CC(C)N1C2=C(C=C1C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C20H20N2O5S/c1-12(2)22-14-5-6-28-18(14)8-15(22)20(24)25-10-19(23)21-9-13-3-4-16-17(7-13)27-11-26-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)