5-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 5-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylic acid Openeye Name: 5-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[[3-(acetylthio)-2-methyl-propanoyl]amino]nicotinic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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