methyl 4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(3-pyridylmethylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3-pyridinylmethylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate Traditional Name: 4-(methylthio)-2-(3-pyridylmethylcarbamoylamino)butyric acid methyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CN=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CN=CC=C1

InChI

InChI=1S/C13H19N3O3S/c1-19-12(17)11(5-7-20-2)16-13(18)15-9-10-4-3-6-14-8-10/h3-4,6,8,11H,5,7,9H2,1-2H3,(H2,15,16,18)