4-methylsulfanyl-2-(pyridin-3-ylcarbonylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(pyridin-3-ylcarbonylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(pyridine-3-carbonylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo(3-pyridinyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(pyridine-3-carbonylamino)butanoic acid Traditional Name: 4-(methylthio)-2-nicotinamido-butyric acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h2-3,5,7,9H,4,6H2,1H3,(H,13,14)(H,15,16)