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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C#N)C

InChI

InChI=1S/C19H16N4O4S/c1-4-27-19(26)15-10(2)13(9-20)17(28-15)21-16(24)14-11-7-5-6-8-12(11)18(25)23(3)22-14/h5-8H,4H2,1-3H3,(H,21,24)