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

Systemtic Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(2-thienylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-thenyl)-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=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CS4

InChI

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