S-(2-acetamidoethyl) 5-bromanyl-2-methyl-3-oxidanyl-pentanethioate

Systemtic Name: S-(2-acetamidoethyl) 5-bromanyl-2-methyl-3-oxidanyl-pentanethioate Openeye Name: S-(2-acetamidoethyl) 5-bromo-3-hydroxy-2-methyl-pentanethioate CAS Name: 5-bromo-3-hydroxy-2-methylpentanethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) 5-bromo-3-hydroxy-2-methylpentanethioate Traditional Name: 5-bromo-3-hydroxy-2-methyl-pentanethioic acid S-(2-acetamidoethyl) ester Formula: C10H18BrNO3S MolecularWeight: 312.22382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCBr)O)C(=O)SCCNC(=O)C

Isomeric SMILES

CC(C(CCBr)O)C(=O)SCCNC(=O)C

InChI

InChI=1S/C10H18BrNO3S/c1-7(9(14)3-4-11)10(15)16-6-5-12-8(2)13/h7,9,14H,3-6H2,1-2H3,(H,12,13)