2-[(3,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-(veratrylthio)nicotinate Formula: C15H14NO4S- MolecularWeight: 304.34096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-])OC

InChI

InChI=1S/C15H15NO4S/c1-19-12-6-5-10(8-13(12)20-2)9-21-14-11(15(17)18)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)/p-1