diethyl 5-[2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25N3O8S/c1-5-33-24(31)20-13(3)21(25(32)34-6-2)37-23(20)26-22(30)14(4)28-19(29)10-8-16(27-28)15-7-9-17-18(11-15)36-12-35-17/h7-11,14H,5-6,12H2,1-4H3,(H,26,30)