S-[2-(octanoylamino)ethyl] 3-oxidanylbutanethioate

Systemtic Name: S-[2-(octanoylamino)ethyl] 3-oxidanylbutanethioate Openeye Name: S-[2-(octanoylamino)ethyl] 3-hydroxybutanethioate CAS Name: 3-hydroxybutanethioic acid S-[2-(1-oxooctylamino)ethyl] ester IUPAC Name: S-[2-(octanoylamino)ethyl] 3-hydroxybutanethioate Traditional Name: 3-hydroxybutanethioic acid S-[2-(caprylylamino)ethyl] ester Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCSC(=O)CC(C)O

Isomeric SMILES

CCCCCCCC(=O)NCCSC(=O)CC(C)O

InChI

InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)15-9-10-19-14(18)11-12(2)16/h12,16H,3-11H2,1-2H3,(H,15,17)