diethyl 5-azanyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-oxo-3-propylphthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C23H25N3O7S/c1-4-11-26-20(27)14-10-8-7-9-13(14)17(25-26)22(29)33-12-15-16(21(28)31-5-2)19(24)34-18(15)23(30)32-6-3/h7-10H,4-6,11-12,24H2,1-3H3