S-(2-acetamidoethyl) 4,6-dimethyl-5-oxidanyl-octanethioate

Systemtic Name: S-(2-acetamidoethyl) 4,6-dimethyl-5-oxidanyl-octanethioate Openeye Name: S-(2-acetamidoethyl) 5-hydroxy-4,6-dimethyl-octanethioate CAS Name: 5-hydroxy-4,6-dimethyloctanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) 5-hydroxy-4,6-dimethyloctanethioate Traditional Name: 5-hydroxy-4,6-dimethyl-octanethioic acid S-(2-acetamidoethyl) ester Formula: C14H27NO3S MolecularWeight: 289.43408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)CCC(=O)SCCNC(=O)C)O

Isomeric SMILES

CCC(C)C(C(C)CCC(=O)SCCNC(=O)C)O

InChI

InChI=1S/C14H27NO3S/c1-5-10(2)14(18)11(3)6-7-13(17)19-9-8-15-12(4)16/h10-11,14,18H,5-9H2,1-4H3,(H,15,16)