dipropan-2-yl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloylamino)thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

InChI

InChI=1S/C21H23NO7S/c1-10(2)28-20(24)16-12(5)17(21(25)29-11(3)4)30-19(16)22-18(23)13-6-7-14-15(8-13)27-9-26-14/h6-8,10-11H,9H2,1-5H3,(H,22,23)