2-(3-methoxy-3-oxidanylidene-propyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-methoxy-3-oxidanylidene-propyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-methoxy-3-oxo-propyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(3-methoxy-3-oxopropyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-methoxy-3-oxopropyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]nicotinic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

COC(=O)CCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H11NO4S/c1-15-8(12)4-6-16-9-7(10(13)14)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,13,14)