[4-(4-fluorophenyl)carbonylphenyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C22H14FNO4S MolecularWeight: 407.414263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FNO4S/c23-16-9-5-14(6-10-16)21(26)15-7-11-17(12-8-15)27-20(25)13-29-22-24-18-3-1-2-4-19(18)28-22/h1-12H,13H2