2-[2-(phenylcarbonylsulfanyl)propanoylamino]ethanoic acid

Systemtic Name: 2-[2-(phenylcarbonylsulfanyl)propanoylamino]ethanoic acid Openeye Name: 2-(2-benzoylsulfanylpropanoylamino)acetic acid CAS Name: 2-[[2-(benzoylthio)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-(2-benzoylsulfanylpropanoylamino)acetic acid Traditional Name: 2-[2-(benzoylthio)propanoylamino]acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CC=C1

InChI

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