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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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