2-[methyl-[(2-sulfanyl-6-sulfanylidene-1H-pyridin-3-yl)methyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(2-sulfanyl-6-sulfanylidene-1H-pyridin-3-yl)methyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(2-sulfanyl-6-thioxo-1H-pyridin-3-yl)methyl]amino]acetic acid CAS Name: 2-[(2-mercapto-6-sulfanylidene-1H-pyridin-3-yl)methyl-methylamino]acetic acid IUPAC Name: 2-[methyl-[(2-sulfanyl-6-sulfanylidene-1H-pyridin-3-yl)methyl]amino]acetic acid Traditional Name: 2-[(2-mercapto-6-thioxo-1H-pyridin-3-yl)methyl-methyl-amino]acetic acid Formula: C9H12N2O2S2 MolecularWeight: 244.33378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(NC(=S)C=C1)S)CC(=O)O

Isomeric SMILES

CN(CC1=C(NC(=S)C=C1)S)CC(=O)O

InChI

InChI=1S/C9H12N2O2S2/c1-11(5-8(12)13)4-6-2-3-7(14)10-9(6)15/h2-3H,4-5H2,1H3,(H,12,13)(H2,10,14,15)