2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]nicotinate Formula: C16H11N2O5S- MolecularWeight: 343.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c19-12(8-24-15-10(16(21)22)2-1-5-17-15)9-3-4-13-11(6-9)18-14(20)7-23-13/h1-6H,7-8H2,(H,18,20)(H,21,22)/p-1