ethyl 1-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(6-acetamido-3-pyridazinyl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(6-acetamidopyridazin-3-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H26N4O4S/c1-3-26-18(25)14-8-10-22(11-9-14)17(24)5-4-12-27-16-7-6-15(20-21-16)19-13(2)23/h6-7,14H,3-5,8-12H2,1-2H3,(H,19,20,23)