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

Systemtic Name: ethyl 5-ethyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C24H21N3O4S/c1-3-16-14-19(24(30)31-4-2)22(32-16)25-21(28)20-17-12-8-9-13-18(17)23(29)27(26-20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,25,28)