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

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-methoxycarbonylphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-carbomethoxybenzyl)thio]nicotinic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c1-20-15(19)11-6-4-10(5-7-11)9-21-13-12(14(17)18)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,18)