2-[1-benzofuran-5-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[1-benzofuran-5-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[benzofuran-5-yl-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[5-benzofuranyl-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[1-benzofuran-5-yl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[benzofuran-5-yl-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1=CC2=C(C=C1)OC=C2

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1=CC2=C(C=C1)OC=C2

InChI

InChI=1S/C14H15NO4S/c1-9(8-20)14(18)15(7-13(16)17)11-2-3-12-10(6-11)4-5-19-12/h2-6,9,20H,7-8H2,1H3,(H,16,17)