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

Systemtic Name: S-[2-(heptanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(heptanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxoheptylamino)ethyl] ester IUPAC Name: S-[2-(heptanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-[2-(enanthylamino)ethyl] ester Formula: C16H31NO3S MolecularWeight: 317.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

Isomeric SMILES

CCCCCCC(=O)NCCSC(=O)C(C)C(CCC)O

InChI

InChI=1S/C16H31NO3S/c1-4-6-7-8-10-15(19)17-11-12-21-16(20)13(3)14(18)9-5-2/h13-14,18H,4-12H2,1-3H3,(H,17,19)