methyl 4-methylsulfanyl-2-[2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyacetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[6-(1-pyrrolidinyl)-3-pyridazinyl]oxy]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyacetyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(6-pyrrolidinopyridazin-3-yl)oxyacetyl]amino]butyric acid methyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=NN=C(C=C1)N2CCCC2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)COC1=NN=C(C=C1)N2CCCC2

InChI

InChI=1S/C16H24N4O4S/c1-23-16(22)12(7-10-25-2)17-14(21)11-24-15-6-5-13(18-19-15)20-8-3-4-9-20/h5-6,12H,3-4,7-11H2,1-2H3,(H,17,21)