4-methylsulfanyl-2-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-oxidanylidene-2-pyridin-3-yl-ethyl)amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-oxo-2-(3-pyridyl)ethyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-oxo-2-(3-pyridinyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-oxo-2-pyridin-3-ylethyl)amino]butanoic acid Traditional Name: 2-[[2-keto-2-(3-pyridyl)ethyl]amino]-4-(methylthio)butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC(=O)C1=CN=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NCC(=O)C1=CN=CC=C1

InChI

InChI=1S/C12H16N2O3S/c1-18-6-4-10(12(16)17)14-8-11(15)9-3-2-5-13-7-9/h2-3,5,7,10,14H,4,6,8H2,1H3,(H,16,17)