1-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)butan-2-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)butan-2-one Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-(3,5-ditert-butyl-4-hydroxy-phenyl)butan-2-one CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)propoxy]-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-butanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-(3,5-ditert-butyl-4-hydroxyphenyl)butan-2-one Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propoxy]-4-(3,5-ditert-butyl-4-hydroxy-phenyl)butan-2-one Formula: C28H37NO3S2 MolecularWeight: 499.72828

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(COCC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C28H37NO3S2/c1-18(33-26-29-23-10-8-9-11-24(23)34-26)16-32-17-20(30)13-12-19-14-21(27(2,3)4)25(31)22(15-19)28(5,6)7/h8-11,14-15,18,31H,12-13,16-17H2,1-7H3