methyl 2-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-4-carboxylate

Systemtic Name: methyl 2-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-4-carboxylate Openeye Name: methyl 2-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-4-carboxylate CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-4-carboxylate Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)amino]isonicotinic acid methyl ester Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC1=NC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(CS)C(=O)NC1=NC=CC(=C1)C(=O)OC

InChI

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