3-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-2-carboxylic acid

Systemtic Name: 3-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-2-carboxylic acid Openeye Name: 3-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]pyridine-2-carboxylic acid CAS Name: 3-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-2-pyridinecarboxylic acid IUPAC Name: 3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid Traditional Name: 3-[[3-(acetylthio)-2-methyl-propanoyl]amino]picolinic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=C(N=CC=C1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=C(N=CC=C1)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-7(6-19-8(2)15)11(16)14-9-4-3-5-13-10(9)12(17)18/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)