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

Systemtic Name: 6-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H14N2O4S/c1-10(23-15-4-2-3-7-18(15)21)16(20)11-5-6-13-12(8-11)17-14(19)9-22-13/h2-8,10H,9H2,1H3,(H,17,19)