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

Systemtic Name: 2-phenoxyethyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC(=O)CCCC2C(NC(=S)NC2=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCOC(=O)CCCC2C(NC(=S)NC2=O)O

InChI

InChI=1S/C16H20N2O5S/c19-13(23-10-9-22-11-5-2-1-3-6-11)8-4-7-12-14(20)17-16(24)18-15(12)21/h1-3,5-6,12,14,20H,4,7-10H2,(H2,17,18,21,24)