(phenylmethyl) 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-4H-pyran-2-yl]thio]acetic acid benzyl ester Formula: C27H20FNO3S MolecularWeight: 457.516003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C27H20FNO3S/c28-22-13-11-20(12-14-22)23-15-25(21-9-5-2-6-10-21)32-27(24(23)16-29)33-18-26(30)31-17-19-7-3-1-4-8-19/h1-15,23H,17-18H2