2-[(2-carboxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-carboxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-carboxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-carboxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-carboxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-carboxybenzyl)thio]nicotinic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c16-13(17)10-5-2-1-4-9(10)8-20-12-11(14(18)19)6-3-7-15-12/h1-7H,8H2,(H,16,17)(H,18,19)