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S-[2-(propanoylamino)ethyl] 6-chloranyl-2-methyl-3-oxidanyl-hexanethioate

S-[2-(propanoylamino)ethyl] 6-chloranyl-2-methyl-3-oxidanyl-hexanethioate

Systemtic Name:S-[2-(propanoylamino)ethyl] 6-chloranyl-2-methyl-3-oxidanyl-hexanethioate
Openeye Name:S-[2-(propanoylamino)ethyl] 6-chloro-3-hydroxy-2-methyl-hexanethioate
CAS Name:6-chloro-3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxopropylamino)ethyl] ester
IUPAC Name:S-[2-(propanoylamino)ethyl] 6-chloro-3-hydroxy-2-methylhexanethioate
Traditional Name:6-chloro-3-hydroxy-2-methyl-hexanethioic acid S-(2-propionamidoethyl) ester
Formula: C12H22ClNO3S
MolecularWeight: 295.82598
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCSC(=O)C(C)C(CCCCl)O


Isomeric SMILES

CCC(=O)NCCSC(=O)C(C)C(CCCCl)O


InChI

InChI=1S/C12H22ClNO3S/c1-3-11(16)14-7-8-18-12(17)9(2)10(15)5-4-6-13/h9-10,15H,3-8H2,1-2H3,(H,14,16)


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