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

Systemtic Name: methyl 4-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylate Openeye Name: methyl 4-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylate CAS Name: 4-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylate Traditional Name: 4-[[3-(acetylthio)-2-methyl-propanoyl]amino]nicotinic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-8(7-20-9(2)16)12(17)15-11-4-5-14-6-10(11)13(18)19-3/h4-6,8H,7H2,1-3H3,(H,14,15,17)