[4-[(E)-[(5-heptyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-tert-butylbenzenesulfonate

Systemtic Name: [4-[(E)-[(5-heptyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-[(E)-[(5-heptyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-2-methoxy-phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-[(E)-[(5-heptyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-heptyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-[(E)-[(5-heptyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C28H37N3O5S2 MolecularWeight: 559.74048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=O)N=C(S1)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CCCCCCCC1C(=O)N=C(S1)N/N=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C28H37N3O5S2/c1-6-7-8-9-10-11-25-26(32)30-27(37-25)31-29-19-20-12-17-23(24(18-20)35-5)36-38(33,34)22-15-13-21(14-16-22)28(2,3)4/h12-19,25H,6-11H2,1-5H3,(H,30,31,32)/b29-19+