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

Systemtic Name: 5-[methyl-(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylic acid Openeye Name: 5-[methyl-(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[(3-mercapto-2-methyl-1-oxopropyl)-methylamino]-3-pyridinecarboxylic acid IUPAC Name: 5-[methyl-(2-methyl-3-sulfanylpropanoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[(3-mercapto-2-methyl-propanoyl)-methyl-amino]nicotinic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-7(6-17)10(14)13(2)9-3-8(11(15)16)4-12-5-9/h3-5,7,17H,6H2,1-2H3,(H,15,16)