4-[(E)-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-dimethoxy-phenolate

Systemtic Name: 4-[(E)-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-dimethoxy-phenolate Openeye Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2,6-dimethoxy-phenolate CAS Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2,6-dimethoxyphenolate IUPAC Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenolate Traditional Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2,6-dimethoxy-phenolate Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])OC)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])OC)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O4S2/c1-24-13-7-11(8-14(25-2)17(13)23)9-19-21-16(22)10-26-18-20-12-5-3-4-6-15(12)27-18/h3-9,23H,10H2,1-2H3,(H,21,22)/b19-9+