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

Systemtic Name: methyl 3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-29-22(28)19-17(11-12-30-19)23-20(26)18-15-9-5-6-10-16(15)21(27)25(24-18)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,23,26)