(2S)-2-acetamido-3-(4-bromophenyl)sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-(4-bromophenyl)sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-(4-bromophenyl)sulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[(4-bromophenyl)thio]propanoate IUPAC Name: (2S)-2-acetamido-3-(4-bromophenyl)sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(4-bromophenyl)thio]propionate Formula: C11H11BrNO3S- MolecularWeight: 317.17894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C11H12BrNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m1/s1