[2-ethoxy-4-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(E)-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=CC=C2N3C=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2N3C=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O5S/c1-3-34-26-18-21(12-15-25(26)35-36(32,33)22-13-10-20(2)11-14-22)19-28-29-27(31)23-8-4-5-9-24(23)30-16-6-7-17-30/h4-19H,3H2,1-2H3,(H,29,31)/b28-19+