6-(2-azanylperoxysulfanylphenyl)-4-[(7-ethanimidoylnaphthalen-2-yl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-azanylperoxysulfanylphenyl)-4-[(7-ethanimidoylnaphthalen-2-yl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-(2-aminoperoxysulfanylphenyl)-4-[(7-ethanimidoyl-2-naphthyl)methyl]-1,4-benzoxazin-3-one CAS Name: 2-[4-[[7-(1-iminoethyl)-2-naphthalenyl]methyl]-3-oxo-1,4-benzoxazin-6-yl]benzenesulfenic acid aminooxy ester IUPAC Name: 6-(2-aminoperoxysulfanylphenyl)-4-[(7-ethanimidoylnaphthalen-2-yl)methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[(7-acetimidoyl-2-naphthyl)methyl]-6-[2-(aminoperoxythio)phenyl]-1,4-benzoxazin-3-one Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC2=C(C=CC(=C2)CN3C(=O)COC4=C3C=C(C=C4)C5=CC=CC=C5SOON)C=C1

Isomeric SMILES

CC(=N)C1=CC2=C(C=CC(=C2)CN3C(=O)COC4=C3C=C(C=C4)C5=CC=CC=C5SOON)C=C1

InChI

InChI=1S/C27H23N3O4S/c1-17(28)20-9-8-19-7-6-18(12-22(19)13-20)15-30-24-14-21(10-11-25(24)32-16-27(30)31)23-4-2-3-5-26(23)35-34-33-29/h2-14,28H,15-16,29H2,1H3