dimethyl 5-azanyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OC)N

InChI

InChI=1S/C19H17N3O7S/c1-27-18(25)14-11(15(19(26)28-2)30-16(14)20)8-29-13(23)7-12-9-5-3-4-6-10(9)17(24)22-21-12/h3-6H,7-8,20H2,1-2H3,(H,22,24)