methyl 3-oxidanyl-4-(4-sulfanylidene-1,3,5-triazinan-1-yl)butanoate

Systemtic Name: methyl 3-oxidanyl-4-(4-sulfanylidene-1,3,5-triazinan-1-yl)butanoate Openeye Name: methyl 3-hydroxy-4-(4-thioxo-1,3,5-triazinan-1-yl)butanoate CAS Name: 3-hydroxy-4-(4-sulfanylidene-1,3,5-triazinan-1-yl)butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-(4-sulfanylidene-1,3,5-triazinan-1-yl)butanoate Traditional Name: 3-hydroxy-4-(4-thioxo-1,3,5-triazinan-1-yl)butyric acid methyl ester Formula: C8H15N3O3S MolecularWeight: 233.288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CN1CNC(=S)NC1)O

Isomeric SMILES

COC(=O)CC(CN1CNC(=S)NC1)O

InChI

InChI=1S/C8H15N3O3S/c1-14-7(13)2-6(12)3-11-4-9-8(15)10-5-11/h6,12H,2-5H2,1H3,(H2,9,10,15)