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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)thio]nicotinic acid Formula: C14H11NO4S2 MolecularWeight: 321.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2S1(=O)=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2S1(=O)=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C14H11NO4S2/c16-14(17)10-5-3-7-15-13(10)20-11-8-21(18,19)12-6-2-1-4-9(11)12/h1-7,11H,8H2,(H,16,17)