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

Systemtic Name: 2-[(2-methoxycarbonylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methoxycarbonyl-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methoxycarbonyl-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methoxycarbonylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-carbomethoxy-4-pyridyl)methylthio]nicotinic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c1-20-14(19)11-7-9(4-6-15-11)8-21-12-10(13(17)18)3-2-5-16-12/h2-7H,8H2,1H3,(H,17,18)