(6-phenylsulfanylpyridin-2-yl)methyl (E)-4-(4-fluorophenyl)-2-propan-2-yl-but-3-enoate

Systemtic Name: (6-phenylsulfanylpyridin-2-yl)methyl (E)-4-(4-fluorophenyl)-2-propan-2-yl-but-3-enoate Openeye Name: (6-phenylsulfanyl-2-pyridyl)methyl (E)-4-(4-fluorophenyl)-2-isopropyl-but-3-enoate CAS Name: (E)-4-(4-fluorophenyl)-2-propan-2-yl-3-butenoic acid [6-(phenylthio)-2-pyridinyl]methyl ester IUPAC Name: (6-phenylsulfanylpyridin-2-yl)methyl (E)-4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate Traditional Name: (E)-4-(4-fluorophenyl)-2-isopropyl-but-3-enoic acid [6-(phenylthio)-2-pyridyl]methyl ester Formula: C25H24FNO2S MolecularWeight: 421.526963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC1=CC=C(C=C1)F)C(=O)OCC2=NC(=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(/C=C/C1=CC=C(C=C1)F)C(=O)OCC2=NC(=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H24FNO2S/c1-18(2)23(16-13-19-11-14-20(26)15-12-19)25(28)29-17-21-7-6-10-24(27-21)30-22-8-4-3-5-9-22/h3-16,18,23H,17H2,1-2H3/b16-13+