(2S)-2-(4-acetamidophenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(4-acetamidophenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: (2S)-2-(4-acetamidophenyl)sulfanyl-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-acetamidophenyl)thio]-3-methylbutanoic acid IUPAC Name: (2S)-2-(4-acetamidophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-acetamidophenyl)thio]-3-methyl-butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H17NO3S/c1-8(2)12(13(16)17)18-11-6-4-10(5-7-11)14-9(3)15/h4-8,12H,1-3H3,(H,14,15)(H,16,17)/t12-/m0/s1