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

Systemtic Name: diethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)CC4=CC=CS4

InChI

InChI=1S/C23H23NO6S/c1-3-27-22(25)17-12-24(11-16-6-5-9-31-16)13-18(23(26)28-4-2)21(17)15-7-8-19-20(10-15)30-14-29-19/h5-10,12-13,21H,3-4,11,14H2,1-2H3