2-(4-methoxy-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-methoxy-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-methoxy-4-oxo-butyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-methoxy-4-oxobutyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methoxy-4-oxobutyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-keto-4-methoxy-butyl)thio]nicotinic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

COC(=O)CCCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-16-9(13)5-3-7-17-10-8(11(14)15)4-2-6-12-10/h2,4,6H,3,5,7H2,1H3,(H,14,15)