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2-acetamido-3-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanyl]propanoic acid

2-acetamido-3-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanyl]propanoic acid

Systemtic Name:2-acetamido-3-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanyl]propanoic acid
Openeye Name:2-acetamido-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoic acid
CAS Name:2-acetamido-3-[(3-oxo-1H-isobenzofuran-1-yl)thio]propanoic acid
IUPAC Name:2-acetamido-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoic acid
Traditional Name:2-acetamido-3-(phthalidylthio)propionic acid
Formula: C13H13NO5S
MolecularWeight: 295.31102
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1C2=CC=CC=C2C(=O)O1)C(=O)O


Isomeric SMILES

CC(=O)NC(CSC1C2=CC=CC=C2C(=O)O1)C(=O)O


InChI

InChI=1S/C13H13NO5S/c1-7(15)14-10(11(16)17)6-20-13-9-5-3-2-4-8(9)12(18)19-13/h2-5,10,13H,6H2,1H3,(H,14,15)(H,16,17)


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