2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]nicotinic acid Formula: C13H8N2O4S2 MolecularWeight: 320.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C13H8N2O4S2/c16-13(17)9-5-3-7-14-11(9)20-12-8-4-1-2-6-10(8)21(18,19)15-12/h1-7H,(H,16,17)