2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C29H35NO4S2 MolecularWeight: 525.7225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=NC4=CC=CC=C4S3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=NC4=CC=CC=C4S3)C(C)C)O

InChI

InChI=1S/C29H35NO4S2/c1-17(2)29(12-11-25-30-21-9-7-8-10-23(21)35-25)15-22(32)26(27(33)34-29)36-24-13-18(3)19(16-31)14-20(24)28(4,5)6/h7-10,13-14,17,31,33H,11-12,15-16H2,1-6H3