N-[5-tert-butyl-6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[5-tert-butyl-6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[5-tert-butyl-6-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[5-tert-butyl-6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[5-tert-butyl-6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[5-tert-butyl-6-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C28H34N2O5S3 MolecularWeight: 574.77496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)NS(=O)(=O)C)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)NS(=O)(=O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O5S3/c1-17(2)28(13-12-18-10-8-7-9-11-18)16-21(31)24(25(32)35-28)36-22-15-23-20(14-19(22)27(3,4)5)29-26(37-23)30-38(6,33)34/h7-11,14-15,17,32H,12-13,16H2,1-6H3,(H,29,30)