[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-ethoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H19N3O5S2/c1-3-24-16-10-12(11-19-20-17(18)26)4-9-15(16)25-27(21,22)14-7-5-13(23-2)6-8-14/h4-11H,3H2,1-2H3,(H3,18,20,26)/b19-11+