ethyl 4-azanyl-5-cyano-1-(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-cyano-1-(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-amino-5-cyano-1-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophen-2-yl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-amino-5-cyano-1-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-cyano-1-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-amino-5-cyano-1-(3-cyano-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophen-2-yl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(=C1N)C#N)C2=C(C3=C(S2)C(=O)CC(C3)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=C1N)C#N)C2=C(C3=C(S2)C(=O)CC(C3)(C)C)C#N

InChI

InChI=1S/C19H17N5O4S/c1-4-28-18(27)14-13(22)11(8-21)16(26)24(23-14)17-10(7-20)9-5-19(2,3)6-12(25)15(9)29-17/h4-6,22H2,1-3H3