2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]nicotinate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-13-8-19(12-6-2-1-5-11(12)18-13)14(21)9-24-15-10(16(22)23)4-3-7-17-15/h1-7H,8-9H2,(H,18,20)(H,22,23)/p-1