(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C20H18N4O5S/c1-3-24-18(25)12-8-6-5-7-11(12)15(23-24)19(26)29-10-14-13(9-21)17(22)30-16(14)20(27)28-4-2/h5-8H,3-4,10,22H2,1-2H3