2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one

Systemtic Name: 2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one Openeye Name: 2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-isopropyl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one CAS Name: 2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)thio]-3H-pyran-4-one IUPAC Name: 2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one Traditional Name: 2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-isopropyl-1,3-benzothiazol-6-yl)thio]-3H-pyran-4-one Formula: C29H33NO4S2 MolecularWeight: 523.70662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCCC5)O)SC=N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCCC5)O)SC=N2

InChI

InChI=1S/C29H33NO4S2/c1-18(2)22-14-23-26(35-17-30-23)15-25(22)36-27-24(32)16-29(34-28(27)33,20-6-4-3-5-7-20)13-12-19-8-10-21(31)11-9-19/h8-11,14-15,17-18,20,31,33H,3-7,12-13,16H2,1-2H3