6-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H12N2O4S/c18-12(9-22-15-3-1-2-6-17(15)20)10-4-5-13-11(7-10)16-14(19)8-21-13/h1-7H,8-9H2,(H,16,19)