[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-13-9(16)6-15-10(17)7-19-12(18)8-4-3-5-14-11(8)20-2/h3-5H,6-7H2,1-2H3,(H,13,16)(H,15,17)