2-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(3-pyridylamino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(3-pyridinylamino)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(3-pyridylamino)ethyl]thio]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C14H12N2O3S/c17-13(16-10-4-3-7-15-8-10)9-20-12-6-2-1-5-11(12)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)