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

Systemtic Name: [2-[(E)-[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [2-[(E)-[(4-oxothiazol-2-yl)hydrazono]methyl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-[(E)-[(4-oxo-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-[(E)-[(4-keto-2-thiazolin-2-yl)hydrazono]methyl]phenyl] ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC3=NC(=O)CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/NC3=NC(=O)CS3

InChI

InChI=1S/C20H21N3O4S2/c1-20(2,3)15-8-10-16(11-9-15)29(25,26)27-17-7-5-4-6-14(17)12-21-23-19-22-18(24)13-28-19/h4-12H,13H2,1-3H3,(H,22,23,24)/b21-12+