2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)propanoyl]amino]acetic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CS)C(=O)NCC(=O)O

InChI

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