2-(3-ethoxycarbonylpyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-ethoxycarbonylpyridin-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-ethoxycarbonyl-2-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-ethoxycarbonylpyridin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-carbethoxy-2-pyridyl)thio]nicotinic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-2-20-14(19)10-6-4-8-16-12(10)21-11-9(13(17)18)5-3-7-15-11/h3-8H,2H2,1H3,(H,17,18)