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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H28N4O4S/c1-2-28-20(27)15-5-3-11-24(13-15)18(25)6-4-12-29-17-10-9-16(22-23-17)21-19(26)14-7-8-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,21,22,26)