diethyl 2-[[1,3-dimethyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]carbamothioyl]propanedioate

Systemtic Name: diethyl 2-[[1,3-dimethyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]carbamothioyl]propanedioate Openeye Name: diethyl 2-[(1,3-dimethyl-2,4-dioxo-hexahydropyrimidin-5-yl)carbamothioyl]propanedioate CAS Name: 2-[[(1,3-dimethyl-2,4-dioxo-1,3-diazinan-5-yl)amino]-sulfanylidenemethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1,3-dimethyl-2,4-dioxo-1,3-diazinan-5-yl)carbamothioyl]propanedioate Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-hexahydropyrimidin-5-yl)thiocarbamoyl]malonic acid diethyl ester Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=S)NC1CN(C(=O)N(C1=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=S)NC1CN(C(=O)N(C1=O)C)C)C(=O)OCC

InChI

InChI=1S/C14H21N3O6S/c1-5-22-12(19)9(13(20)23-6-2)10(24)15-8-7-16(3)14(21)17(4)11(8)18/h8-9H,5-7H2,1-4H3,(H,15,24)