2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H17NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-2-3-11-12(6-10)20-5-4-19-11/h2-3,6,9,21H,4-5,7-8H2,1H3,(H,16,17)