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

Systemtic Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-mercapto-propanoyl]amino]acetic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CC(CS)C(=O)NCC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-11(16)5-14-13(17)9(6-20)4-8-2-1-3-10-12(8)19-7-18-10/h1-3,9,20H,4-7H2,(H,14,17)(H,15,16)