2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c19-14(17-10-8-12-5-2-1-3-6-12)11-22-15-13(16(20)21)7-4-9-18-15/h1-7,9H,8,10-11H2,(H,17,19)(H,20,21)/p-1