2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2-hydroxyethylthio)-3-pyridinecarboxylate IUPAC Name: 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2-hydroxyethylthio)nicotinate Formula: C8H8NO3S- MolecularWeight: 198.21902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCO)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCCO)C(=O)[O-]

InChI

InChI=1S/C8H9NO3S/c10-4-5-13-7-6(8(11)12)2-1-3-9-7/h1-3,10H,4-5H2,(H,11,12)/p-1