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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC(CS)C(=O)NCC(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(17)7-15-14(18)10(8-21)5-9-1-2-11-12(6-9)20-4-3-19-11/h1-2,6,10,21H,3-5,7-8H2,(H,15,18)(H,16,17)