ethyl 5-azanyl-4-cyano-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H16N4O5S/c1-2-27-19(26)16-13(12(8-20)17(21)29-16)9-28-15(24)7-14-10-5-3-4-6-11(10)18(25)23-22-14/h3-6H,2,7,9,21H2,1H3,(H,23,25)