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

Systemtic Name: ethyl 1-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-azanyl-5-cyano-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-amino-1-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyano-6-oxo-pyridazine-3-carboxylate CAS Name: 4-amino-1-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyano-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyano-6-oxopyridazine-3-carboxylate Traditional Name: 4-amino-1-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyano-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C17H17N5O4S MolecularWeight: 387.41298

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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)CCCC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=C1N)C#N)C2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C17H17N5O4S/c1-2-26-17(25)13-12(19)9(7-18)15(24)22(21-13)16-11(14(20)23)8-5-3-4-6-10(8)27-16/h2-6,19H2,1H3,(H2,20,23)