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

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C11H13N3O4S/c1-19-10-7(3-2-4-13-10)11(17)18-6-9(16)14-5-8(12)15/h2-4H,5-6H2,1H3,(H2,12,15)(H,14,16)