3-[(2S)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl methanesulfonate

Systemtic Name: 3-[(2S)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl methanesulfonate Openeye Name: 3-[(2S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxo-thiazolidin-3-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(2S)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-3-thiazolidinyl]propyl ester IUPAC Name: 3-[(2S)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[(2S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-keto-thiazolidin-3-yl]propyl ester Formula: C21H33NO5S2 MolecularWeight: 443.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)CCCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H]2N(C(=O)CS2)CCCOS(=O)(=O)C

InChI

InChI=1S/C21H33NO5S2/c1-20(2,3)15-11-14(12-16(18(15)24)21(4,5)6)19-22(17(23)13-28-19)9-8-10-27-29(7,25)26/h11-12,19,24H,8-10,13H2,1-7H3/t19-/m0/s1