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

Systemtic Name: ethyl 1-[4-[6-(cyclopropylcarbonylamino)pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[[6-[[cyclopropyl(oxo)methyl]amino]-3-pyridazinyl]thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[6-(cyclopropanecarbonylamino)pyridazin-3-yl]thio]butanoyl]isonipecotic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H28N4O4S/c1-2-28-20(27)15-9-11-24(12-10-15)18(25)4-3-13-29-17-8-7-16(22-23-17)21-19(26)14-5-6-14/h7-8,14-15H,2-6,9-13H2,1H3,(H,21,22,26)