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

Systemtic Name: S-[2-(hexanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(hexanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxohexylamino)ethyl] ester IUPAC Name: S-[2-(hexanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-[2-(caproylamino)ethyl] ester Formula: C15H29NO3S MolecularWeight: 303.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

Isomeric SMILES

CCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

InChI

InChI=1S/C15H29NO3S/c1-4-6-7-9-14(18)16-10-11-20-15(19)12(3)13(17)8-5-2/h12-13,17H,4-11H2,1-3H3,(H,16,18)