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

Systemtic Name: ethyl 6-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylate CAS Name: 6-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylate Traditional Name: 6-[[3-(acetylthio)-2-methyl-propanoyl]amino]nicotinic acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-4-20-14(19)11-5-6-12(15-7-11)16-13(18)9(2)8-21-10(3)17/h5-7,9H,4,8H2,1-3H3,(H,15,16,18)