3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-(pyridin-3-ylcarbonylamino)propanoate

Systemtic Name: 3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-(pyridin-3-ylcarbonylamino)propanoate Openeye Name: 3-(2-oxido-2-oxo-ethyl)sulfanyl-2-(pyridine-3-carbonylamino)propanoate CAS Name: 3-[(2-oxido-2-oxoethyl)thio]-2-[[oxo(3-pyridinyl)methyl]amino]propanoate IUPAC Name: 3-(2-oxido-2-oxoethyl)sulfanyl-2-(pyridine-3-carbonylamino)propanoate Traditional Name: 3-[(2-keto-2-oxido-ethyl)thio]-2-nicotinamido-propionate Formula: C11H10N2O5S-2 MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(CSCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(CSCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c14-9(15)6-19-5-8(11(17)18)13-10(16)7-2-1-3-12-4-7/h1-4,8H,5-6H2,(H,13,16)(H,14,15)(H,17,18)/p-2