methyl 6-oxidanylidene-2-(2-pyridin-2-ylsulfanylethanoyl)-1,2-diazinane-4-carboxylate

Systemtic Name: methyl 6-oxidanylidene-2-(2-pyridin-2-ylsulfanylethanoyl)-1,2-diazinane-4-carboxylate Openeye Name: methyl 6-oxo-2-[2-(2-pyridylsulfanyl)acetyl]hexahydropyridazine-4-carboxylate CAS Name: 6-oxo-2-[1-oxo-2-(2-pyridinylthio)ethyl]-4-diazinanecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-2-(2-pyridin-2-ylsulfanylacetyl)diazinane-4-carboxylate Traditional Name: 6-keto-2-[2-(2-pyridylthio)acetyl]hexahydropyridazine-4-carboxylic acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)NN(C1)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1CC(=O)NN(C1)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C13H15N3O4S/c1-20-13(19)9-6-10(17)15-16(7-9)12(18)8-21-11-4-2-3-5-14-11/h2-5,9H,6-8H2,1H3,(H,15,17)