[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C23H17N5O5S MolecularWeight: 475.47658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C23H17N5O5S/c1-27-16-8-4-5-9-18(16)34-23(27)15(10-24)17(29)12-33-19(30)11-28-22(32)14-7-3-2-6-13(14)20(26-28)21(25)31/h2-9H,11-12H2,1H3,(H2,25,31)/b23-15-