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

Systemtic Name: octyl 2-methyl-3-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)propanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O4S/c1-3-4-5-6-7-8-9-22-15(21)11(2)10-12-13(19)17-16(23)18-14(12)20/h11-13,19H,3-10H2,1-2H3,(H2,17,18,20,23)