2-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(3-amino-3-oxo-propyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(3-amino-3-oxopropyl)sulfonylethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(3-amino-3-keto-propyl)sulfonylethylthio]nicotinic acid Formula: C11H14N2O5S2 MolecularWeight: 318.36926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCS(=O)(=O)CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCS(=O)(=O)CCC(=O)N)C(=O)O

InChI

InChI=1S/C11H14N2O5S2/c12-9(14)3-6-20(17,18)7-5-19-10-8(11(15)16)2-1-4-13-10/h1-2,4H,3,5-7H2,(H2,12,14)(H,15,16)