3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]-4-keto-phthalazine-1-carboxylate Formula: C20H11N4O4S- MolecularWeight: 403.39074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)C(=C3NC4=CC=CC=C4S3)C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N)C(=O)[O-]

InChI

InChI=1S/C20H12N4O4S/c21-9-13(18-22-14-7-3-4-8-16(14)29-18)15(25)10-24-19(26)12-6-2-1-5-11(12)17(23-24)20(27)28/h1-8,22H,10H2,(H,27,28)/p-1/b18-13+