2-[(3E)-3-ethoxyiminopropyl]-5-[3-(2-fluoranyl-4-methylsulfanyl-phenoxy)phenyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(3E)-3-ethoxyiminopropyl]-5-[3-(2-fluoranyl-4-methylsulfanyl-phenoxy)phenyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(3E)-3-ethoxyiminopropyl]-5-[3-(2-fluoro-4-methylsulfanyl-phenoxy)phenyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[(3E)-3-ethoxyiminopropyl]-5-[3-[2-fluoro-4-(methylthio)phenoxy]phenyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[(3E)-3-ethoxyiminopropyl]-5-[3-(2-fluoro-4-methylsulfanylphenoxy)phenyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[(3E)-3-ethyloximinopropyl]-5-[3-[2-fluoro-4-(methylthio)phenoxy]phenyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C24H26FNO4S MolecularWeight: 443.530943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON=CCCC1=C(CC(CC1=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)SC)F)O

Isomeric SMILES

CCO/N=C/CCC1=C(CC(CC1=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)SC)F)O

InChI

InChI=1S/C24H26FNO4S/c1-3-29-26-11-5-8-20-22(27)13-17(14-23(20)28)16-6-4-7-18(12-16)30-24-10-9-19(31-2)15-21(24)25/h4,6-7,9-12,15,17,27H,3,5,8,13-14H2,1-2H3/b26-11+