3-(5-chloranyl-1-propan-2-yl-benzimidazol-2-yl)sulfanyl-6-cyclopentyl-6-[2-(3-fluoranyl-4-propan-2-yloxy-phenyl)ethyl]oxane-2,4-dione

Systemtic Name: 3-(5-chloranyl-1-propan-2-yl-benzimidazol-2-yl)sulfanyl-6-cyclopentyl-6-[2-(3-fluoranyl-4-propan-2-yloxy-phenyl)ethyl]oxane-2,4-dione Openeye Name: 3-(5-chloro-1-isopropyl-benzimidazol-2-yl)sulfanyl-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxy-phenyl)ethyl]tetrahydropyran-2,4-dione CAS Name: 3-[(5-chloro-1-propan-2-yl-2-benzimidazolyl)thio]-6-cyclopentyl-6-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]oxane-2,4-dione IUPAC Name: 3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)sulfanyl-6-cyclopentyl-6-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]oxane-2,4-dione Traditional Name: 3-[(5-chloro-1-isopropyl-benzimidazol-2-yl)thio]-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxy-phenyl)ethyl]tetrahydropyran-2,4-quinone Formula: C31H36ClFN2O4S MolecularWeight: 587.144943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1SC3C(=O)CC(OC3=O)(CCC4=CC(=C(C=C4)OC(C)C)F)C5CCCC5

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1SC3C(=O)CC(OC3=O)(CCC4=CC(=C(C=C4)OC(C)C)F)C5CCCC5

InChI

InChI=1S/C31H36ClFN2O4S/c1-18(2)35-25-11-10-22(32)16-24(25)34-30(35)40-28-26(36)17-31(39-29(28)37,21-7-5-6-8-21)14-13-20-9-12-27(23(33)15-20)38-19(3)4/h9-12,15-16,18-19,21,28H,5-8,13-14,17H2,1-4H3