S-[3-oxidanylidene-3-(propylamino)propyl] 3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanethioate

Systemtic Name: S-[3-oxidanylidene-3-(propylamino)propyl] 3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanethioate Openeye Name: S-[3-oxo-3-(propylamino)propyl] 2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanethioate CAS Name: 2-hydroxy-3,3-dimethyl-4-phosphonooxybutanethioic acid S-[3-oxo-3-(propylamino)propyl] ester IUPAC Name: S-[3-oxo-3-(propylamino)propyl] 2-hydroxy-3,3-dimethyl-4-phosphonooxybutanethioate Traditional Name: 2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanethioic acid S-[3-keto-3-(propylamino)propyl] ester Formula: C12H24NO7PS MolecularWeight: 357.360221

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCSC(=O)C(C(C)(C)COP(=O)(O)O)O

Isomeric SMILES

CCCNC(=O)CCSC(=O)C(C(C)(C)COP(=O)(O)O)O

InChI

InChI=1S/C12H24NO7PS/c1-4-6-13-9(14)5-7-22-11(16)10(15)12(2,3)8-20-21(17,18)19/h10,15H,4-8H2,1-3H3,(H,13,14)(H2,17,18,19)