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

Systemtic Name: octyl 2-(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)propanoate Openeye Name: octyl 2-(4-methyl-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)propanoate CAS Name: 2-(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid octyl ester IUPAC Name: octyl 2-(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)propanoate Traditional Name: 2-(4-keto-6-methyl-2-thioxo-hexahydropyrimidin-5-yl)propionic acid octyl ester Formula: C16H28N2O3S MolecularWeight: 328.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)C1C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C(C)C1C(NC(=S)NC1=O)C

InChI

InChI=1S/C16H28N2O3S/c1-4-5-6-7-8-9-10-21-15(20)11(2)13-12(3)17-16(22)18-14(13)19/h11-13H,4-10H2,1-3H3,(H2,17,18,19,22)