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

Systemtic Name: S-[2-(propanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(propanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxopropylamino)ethyl] ester IUPAC Name: S-[2-(propanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-(2-propionamidoethyl) ester Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C(=O)SCCNC(=O)CC)O

Isomeric SMILES

CCCC(C(C)C(=O)SCCNC(=O)CC)O

InChI

InChI=1S/C12H23NO3S/c1-4-6-10(14)9(3)12(16)17-8-7-13-11(15)5-2/h9-10,14H,4-8H2,1-3H3,(H,13,15)