[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxy-phenyl] benzenesulfonate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-ethoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S2/c1-2-28-20-14-16(15-23-25-22-24-18-10-6-7-11-21(18)30-22)12-13-19(20)29-31(26,27)17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,24,25)/b23-15+