octyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate

Systemtic Name: octyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: octyl 4-(4-hydroxy-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)butanoate CAS Name: 4-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)butanoic acid octyl ester IUPAC Name: octyl 4-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Traditional Name: 4-(4-hydroxy-6-keto-2-thioxo-hexahydropyrimidin-5-yl)butyric acid octyl ester Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCC1C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCCCOC(=O)CCCC1C(NC(=S)NC1=O)O

InChI

InChI=1S/C16H28N2O4S/c1-2-3-4-5-6-7-11-22-13(19)10-8-9-12-14(20)17-16(23)18-15(12)21/h12,14,20H,2-11H2,1H3,(H2,17,18,21,23)