diethyl 2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-(4-methyl-6-oxo-hexahydropyrimidin-2-yl)sulfanyl-3-oxo-butanedioate CAS Name: 2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)thio]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-3-oxobutanedioate Traditional Name: 2-keto-3-[(4-keto-6-methyl-hexahydropyrimidin-2-yl)thio]succinic acid diethyl ester Formula: C13H20N2O6S MolecularWeight: 332.3727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C(=O)OCC)SC1NC(CC(=O)N1)C

Isomeric SMILES

CCOC(=O)C(C(=O)C(=O)OCC)SC1NC(CC(=O)N1)C

InChI

InChI=1S/C13H20N2O6S/c1-4-20-11(18)9(17)10(12(19)21-5-2)22-13-14-7(3)6-8(16)15-13/h7,10,13-14H,4-6H2,1-3H3,(H,15,16)