2-[[5-(carboxymethylsulfanylcarbonylamino)-2,6-dimethyl-pyridin-3-yl]carbamoylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(carboxymethylsulfanylcarbonylamino)-2,6-dimethyl-pyridin-3-yl]carbamoylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(carboxymethylsulfanylcarbonylamino)-2,6-dimethyl-3-pyridyl]carbamoylsulfanyl]acetic acid CAS Name: 2-[[[[5-[[(carboxymethylthio)-oxomethyl]amino]-2,6-dimethyl-3-pyridinyl]amino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[[5-(carboxymethylsulfanylcarbonylamino)-2,6-dimethylpyridin-3-yl]carbamoylsulfanyl]acetic acid Traditional Name: 2-[[5-[(carboxymethylthio)carbonylamino]-2,6-dimethyl-3-pyridyl]carbamoylthio]acetic acid Formula: C13H15N3O6S2 MolecularWeight: 373.4047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C)NC(=O)SCC(=O)O)NC(=O)SCC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=N1)C)NC(=O)SCC(=O)O)NC(=O)SCC(=O)O

InChI

InChI=1S/C13H15N3O6S2/c1-6-8(15-12(21)23-4-10(17)18)3-9(7(2)14-6)16-13(22)24-5-11(19)20/h3H,4-5H2,1-2H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)