hexyl 2-methyl-3-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)propanoate

Systemtic Name: hexyl 2-methyl-3-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)propanoate Openeye Name: hexyl 3-(4-hydroxy-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)-2-methyl-propanoate CAS Name: 3-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-methylpropanoic acid hexyl ester IUPAC Name: hexyl 3-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-methylpropanoate Traditional Name: 3-(4-hydroxy-6-keto-2-thioxo-hexahydropyrimidin-5-yl)-2-methyl-propionic acid hexyl ester Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)CC1C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCOC(=O)C(C)CC1C(NC(=S)NC1=O)O

InChI

InChI=1S/C14H24N2O4S/c1-3-4-5-6-7-20-13(19)9(2)8-10-11(17)15-14(21)16-12(10)18/h9-11,17H,3-8H2,1-2H3,(H2,15,16,18,21)