ethyl 1-[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(6-oxidanylidene-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[[5-(6-keto-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]nipecotic acid ethyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H19N3O5S2/c1-2-24-16(21)11-4-3-9-19(10-11)26(22,23)15-8-6-13(25-15)12-5-7-14(20)18-17-12/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)