2-(1-benzofuran-2-ylcarbonylamino)-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylamino)-3-methylsulfanyl-propanoic acid Openeye Name: 2-(benzofuran-2-carbonylamino)-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-3-methylsulfanylpropanoic acid Traditional Name: 2-(benzofuran-2-carbonylamino)-3-(methylthio)propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2O1

Isomeric SMILES

CSCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C13H13NO4S/c1-19-7-9(13(16)17)14-12(15)11-6-8-4-2-3-5-10(8)18-11/h2-6,9H,7H2,1H3,(H,14,15)(H,16,17)