methyl 5-cyano-4-[2-(furan-2-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-4-[2-(furan-2-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(2-furyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(2-furanyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(furan-2-yl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-[2-(2-furyl)-2-keto-ethyl]-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=CO2

InChI

InChI=1S/C13H11N3O5S/c1-20-11(19)13(5-8(17)9-3-2-4-21-9)7(6-14)10(18)15-12(22)16-13/h2-4,7H,5H2,1H3,(H2,15,16,18,22)