dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-piperonyl-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CS2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO6S/c1-25-20(23)14-10-22(9-13-5-6-16-17(8-13)28-12-27-16)11-15(21(24)26-2)19(14)18-4-3-7-29-18/h3-8,10-11,19H,9,12H2,1-2H3