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

Systemtic Name: 4-[(E)-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-ethoxy-phenolate Openeye Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-ethoxy-phenolate CAS Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenolate IUPAC Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-ethoxyphenolate Traditional Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2-ethoxy-phenolate Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3S2)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-2-24-15-9-12(7-8-14(15)22)10-19-21-17(23)11-25-18-20-13-5-3-4-6-16(13)26-18/h3-10,22H,2,11H2,1H3,(H,21,23)/b19-10+