2-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-4-oxo-thiazolidin-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-3-thiazolidinyl]ethyl ester IUPAC Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-4-keto-thiazolidin-3-yl]ethyl ester Formula: C27H35NO5S2 MolecularWeight: 517.7005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)CSC2=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN\2C(=O)CS/C2=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H35NO5S2/c1-18-8-10-20(11-9-18)35(31,32)33-13-12-28-23(29)17-34-24(28)16-19-14-21(26(2,3)4)25(30)22(15-19)27(5,6)7/h8-11,14-16,30H,12-13,17H2,1-7H3/b24-16+