(E)-3-(5-fluoranyl-2,3-dimethyl-4-methylsulfanyl-phenyl)-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-(5-fluoranyl-2,3-dimethyl-4-methylsulfanyl-phenyl)-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(5-fluoro-2,3-dimethyl-4-methylsulfanyl-phenyl)-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[5-fluoro-2,3-dimethyl-4-(methylthio)phenyl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(5-fluoro-2,3-dimethyl-4-methylsulfanylphenyl)-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[5-fluoro-2,3-dimethyl-4-(methylthio)phenyl]-2-phenyl-acrylic acid Formula: C18H17FO2S MolecularWeight: 316.389783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C=C(C2=CC=CC=C2)C(=O)O)F)SC)C

Isomeric SMILES

CC1=C(C(=C(C=C1/C=C(\C2=CC=CC=C2)/C(=O)O)F)SC)C

InChI

InChI=1S/C18H17FO2S/c1-11-12(2)17(22-3)16(19)10-14(11)9-15(18(20)21)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,20,21)/b15-9+