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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-14(27)23-22-24-16(13-31-22)12-30-21(29)19-17-9-5-6-10-18(17)20(28)26(25-19)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,23,24,27)