ethyl 6-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-methyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylate CAS Name: 6-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-3-carboxylate Traditional Name: 6-[(3-mercapto-2-methyl-propanoyl)amino]nicotinic acid ethyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC(=O)C(C)CS

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC(=O)C(C)CS

InChI

InChI=1S/C12H16N2O3S/c1-3-17-12(16)9-4-5-10(13-6-9)14-11(15)8(2)7-18/h4-6,8,18H,3,7H2,1-2H3,(H,13,14,15)