phenyl 2-acetamido-3-methyl-3-sulfanyl-butanoate

Systemtic Name: phenyl 2-acetamido-3-methyl-3-sulfanyl-butanoate Openeye Name: phenyl 2-acetamido-3-methyl-3-sulfanyl-butanoate CAS Name: 2-acetamido-3-mercapto-3-methylbutanoic acid phenyl ester IUPAC Name: phenyl 2-acetamido-3-methyl-3-sulfanylbutanoate Traditional Name: 2-acetamido-3-mercapto-3-methyl-butyric acid phenyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC1=CC=CC=C1)C(C)(C)S

Isomeric SMILES

CC(=O)NC(C(=O)OC1=CC=CC=C1)C(C)(C)S

InChI

InChI=1S/C13H17NO3S/c1-9(15)14-11(13(2,3)18)12(16)17-10-7-5-4-6-8-10/h4-8,11,18H,1-3H3,(H,14,15)