ethyl 3-azanyl-6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzothiophene-2-carboxylate CAS Name: 3-amino-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)benzothiophene-2-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)C3=NNC(=O)CC3C)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)C3=NNC(=O)CC3C)N

InChI

InChI=1S/C16H17N3O3S/c1-3-22-16(21)15-13(17)10-5-4-9(7-11(10)23-15)14-8(2)6-12(20)18-19-14/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,20)