2-[(2-ethoxycarbonylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-ethoxycarbonylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-ethoxycarbonyl-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-ethoxycarbonyl-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-ethoxycarbonylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-carbethoxy-4-pyridyl)methylthio]nicotinic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-2-21-15(20)12-8-10(5-7-16-12)9-22-13-11(14(18)19)4-3-6-17-13/h3-8H,2,9H2,1H3,(H,18,19)