5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclohexyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one Formula: C30H35FN2O3S2 MolecularWeight: 554.738903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35FN2O3S2/c1-29(2,3)21-15-22-25(38-28(32)33-22)16-24(21)37-26-23(34)17-30(36-27(26)35,19-9-5-4-6-10-19)13-12-18-8-7-11-20(31)14-18/h7-8,11,14-16,19,35H,4-6,9-10,12-13,17H2,1-3H3,(H2,32,33)