[2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)CC3=CC=CS3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CS3)OC

InChI

InChI=1S/C22H22N2O5S2/c1-15-6-7-16(2)21(11-15)31(26,27)29-19-9-8-17(12-20(19)28-3)14-23-24-22(25)13-18-5-4-10-30-18/h4-12,14H,13H2,1-3H3,(H,24,25)/b23-14+