methyl 5-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4S/c1-28-21(27)16-11-12-17(29-16)22-19(25)18-14-9-5-6-10-15(14)20(26)24(23-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,22,25)