2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-(2-besylethylthio)nicotinate Formula: C14H12NO4S2- MolecularWeight: 322.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H13NO4S2/c16-14(17)12-7-4-8-15-13(12)20-9-10-21(18,19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)/p-1