2-[4-(carboxymethyl)-2-methyl-5-sulfanyl-1,2,4-triazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(carboxymethyl)-2-methyl-5-sulfanyl-1,2,4-triazolidin-3-yl]ethanoic acid Openeye Name: 2-[4-(carboxymethyl)-2-methyl-5-sulfanyl-1,2,4-triazolidin-3-yl]acetic acid CAS Name: 2-[4-(carboxymethyl)-5-mercapto-2-methyl-1,2,4-triazolidin-3-yl]acetic acid IUPAC Name: 2-[4-(carboxymethyl)-2-methyl-5-sulfanyl-1,2,4-triazolidin-3-yl]acetic acid Traditional Name: 2-[4-(carboxymethyl)-5-mercapto-2-methyl-1,2,4-triazolidin-3-yl]acetic acid Formula: C7H13N3O4S MolecularWeight: 235.26082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(N1)S)CC(=O)O)CC(=O)O

Isomeric SMILES

CN1C(N(C(N1)S)CC(=O)O)CC(=O)O

InChI

InChI=1S/C7H13N3O4S/c1-9-4(2-5(11)12)10(3-6(13)14)7(15)8-9/h4,7-8,15H,2-3H2,1H3,(H,11,12)(H,13,14)