methyl 2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]thiazole-5-carboxylate CAS Name: 2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S/c1-29-20(28)16-11-22-21(30-16)23-18(26)17-14-9-5-6-10-15(14)19(27)25(24-17)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,23,26)