[4-[(E)-[1-(3-ethoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[1-(3-ethoxypropyl)-5-keto-2-thioxo-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)/NC1=S

InChI

InChI=1S/C23H26N2O6S2/c1-4-30-13-5-12-25-22(26)19(24-23(25)32)14-17-8-11-20(21(15-17)29-3)31-33(27,28)18-9-6-16(2)7-10-18/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,32)/b19-14+