2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1-azetidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H12N2O3S/c14-9(13-5-2-6-13)7-17-10-8(11(15)16)3-1-4-12-10/h1,3-4H,2,5-7H2,(H,15,16)