S-[2-(octanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate

Systemtic Name: S-[2-(octanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(octanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxooctylamino)ethyl] ester IUPAC Name: S-[2-(octanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-[2-(caprylylamino)ethyl] ester Formula: C17H33NO3S MolecularWeight: 331.51382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

Isomeric SMILES

CCCCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

InChI

InChI=1S/C17H33NO3S/c1-4-6-7-8-9-11-16(20)18-12-13-22-17(21)14(3)15(19)10-5-2/h14-15,19H,4-13H2,1-3H3,(H,18,20)