[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C14H19N3O4S/c1-14(2,3)17-13(20)16-10(18)8-21-12(19)9-6-5-7-15-11(9)22-4/h5-7H,8H2,1-4H3,(H2,16,17,18,20)