methyl 4-[[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]benzoate

Systemtic Name: methyl 4-[[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]benzoate Openeye Name: methyl 4-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thienyl]sulfonylamino]benzoate CAS Name: 4-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thiophenyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]benzoate Traditional Name: 4-[[5-(6-keto-1H-pyridazin-3-yl)-2-thienyl]sulfonylamino]benzoic acid methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H13N3O5S2/c1-24-16(21)10-2-4-11(5-3-10)19-26(22,23)15-9-7-13(25-15)12-6-8-14(20)18-17-12/h2-9,19H,1H3,(H,18,20)