ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H20N2O5S/c1-3-27-22(26)19-13(2)18(11-14-4-5-16-17(10-14)29-12-28-16)30-21(19)24-20(25)15-6-8-23-9-7-15/h4-10H,3,11-12H2,1-2H3,(H,24,25)