2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(propargylamino)ethyl]thio]nicotinic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

C#CCNC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C11H10N2O3S/c1-2-5-12-9(14)7-17-10-8(11(15)16)4-3-6-13-10/h1,3-4,6H,5,7H2,(H,12,14)(H,15,16)