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

Systemtic Name: 5-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylic acid Openeye Name: 5-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[(3-mercapto-2-methyl-propanoyl)amino]nicotinic acid Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S/c1-6(5-16)9(13)12-8-2-7(10(14)15)3-11-4-8/h2-4,6,16H,5H2,1H3,(H,12,13)(H,14,15)