[3-[(E)-[(5,5-dimethyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzenesulfonate

Systemtic Name: [3-[(E)-[(5,5-dimethyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzenesulfonate Openeye Name: [3-[(E)-[(5,5-dimethyl-4-oxo-thiazol-2-yl)hydrazono]methyl]phenyl] 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid [3-[(E)-[(5,5-dimethyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(5,5-dimethyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid [3-[(E)-[(4-keto-5,5-dimethyl-2-thiazolin-2-yl)hydrazono]methyl]phenyl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC3=NC(=O)C(S3)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=N/NC3=NC(=O)C(S3)(C)C

InChI

InChI=1S/C20H21N3O5S2/c1-4-27-15-8-10-17(11-9-15)30(25,26)28-16-7-5-6-14(12-16)13-21-23-19-22-18(24)20(2,3)29-19/h5-13H,4H2,1-3H3,(H,22,23,24)/b21-13+