2-(2-phenylethanoylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(2-phenylethanoylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(2-phenylacetyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-oxo-2-phenylethyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(2-phenylacetyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-phenylacetyl)thio]nicotinate Formula: C14H10NO3S- MolecularWeight: 272.2991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H11NO3S/c16-12(9-10-5-2-1-3-6-10)19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)/p-1