2-acetamido-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-acetamido-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 2-acetamido-3-benzoylsulfanyl-propanoic acid CAS Name: 2-acetamido-3-(benzoylthio)propanoic acid IUPAC Name: 2-acetamido-3-benzoylsulfanylpropanoic acid Traditional Name: 2-acetamido-3-(benzoylthio)propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-8(14)13-10(11(15)16)7-18-12(17)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)(H,15,16)