diethyl 5-[2-(1,3-benzodioxol-5-ylcarbonyloxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(1,3-benzodioxol-5-ylcarbonyloxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[1,3-benzodioxol-5-yl(oxo)methoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-piperonyloyloxyacetyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21NO9S MolecularWeight: 463.45774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO9S/c1-4-27-20(25)16-11(3)17(21(26)28-5-2)32-18(16)22-15(23)9-29-19(24)12-6-7-13-14(8-12)31-10-30-13/h6-8H,4-5,9-10H2,1-3H3,(H,22,23)