S-(1,3-benzothiazol-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C22H25NO2S2 MolecularWeight: 399.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25NO2S2/c1-21(2,3)14-11-13(12-15(18(14)24)22(4,5)6)19(25)27-20-23-16-9-7-8-10-17(16)26-20/h7-12,24H,1-6H3