methyl 5-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-methyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 5-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-methyl-amino]pyridine-3-carboxylate Openeye Name: methyl 5-[(3-acetylsulfanyl-2-methyl-propanoyl)-methyl-amino]pyridine-3-carboxylate CAS Name: 5-[[3-(acetylthio)-2-methyl-1-oxopropyl]-methylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-acetylsulfanyl-2-methylpropanoyl)-methylamino]pyridine-3-carboxylate Traditional Name: 5-[[3-(acetylthio)-2-methyl-propanoyl]-methyl-amino]nicotinic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(C)C1=CN=CC(=C1)C(=O)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(C)C1=CN=CC(=C1)C(=O)OC

InChI

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