4-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenolate

Systemtic Name: 4-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-phenolate CAS Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenolate Traditional Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-phenolate Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3O2)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-23-15-8-11(6-7-13(15)21)9-18-20-16(22)10-25-17-19-12-4-2-3-5-14(12)24-17/h2-9,21H,10H2,1H3,(H,20,22)/b18-9+