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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

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