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

Systemtic Name: methyl 4-methylsulfanyl-2-(pyridin-2-ylmethylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(2-pyridylmethylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(2-pyridinylmethylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(pyridin-2-ylmethylcarbamoylamino)butanoate Traditional Name: 4-(methylthio)-2-(2-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=CC=CC=N1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC=CC=N1

InChI

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