3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(2-acetamidothiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2-acetamido-4-thiazolyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(2-acetamidothiazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylate Formula: C15H11N4O4S- MolecularWeight: 343.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c1-8(20)16-15-17-9(7-24-15)6-19-13(21)11-5-3-2-4-10(11)12(18-19)14(22)23/h2-5,7H,6H2,1H3,(H,22,23)(H,16,17,20)/p-1