5-[3-cyano-4-[(E)-3-phenylprop-2-enoxy]phenyl]-3-fluoranyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[3-cyano-4-[(E)-3-phenylprop-2-enoxy]phenyl]-3-fluoranyl-thiophene-2-carboxylic acid Openeye Name: 5-[4-[(E)-cinnamyl]oxy-3-cyano-phenyl]-3-fluoro-thiophene-2-carboxylic acid CAS Name: 5-[3-cyano-4-[(E)-3-phenylprop-2-enoxy]phenyl]-3-fluoro-2-thiophenecarboxylic acid IUPAC Name: 5-[3-cyano-4-[(E)-3-phenylprop-2-enoxy]phenyl]-3-fluorothiophene-2-carboxylic acid Traditional Name: 5-[4-[(E)-cinnamyl]oxy-3-cyano-phenyl]-3-fluoro-2-thenoic acid Formula: C21H14FNO3S MolecularWeight: 379.404163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCOC2=C(C=C(C=C2)C3=CC(=C(S3)C(=O)O)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/COC2=C(C=C(C=C2)C3=CC(=C(S3)C(=O)O)F)C#N

InChI

InChI=1S/C21H14FNO3S/c22-17-12-19(27-20(17)21(24)25)15-8-9-18(16(11-15)13-23)26-10-4-7-14-5-2-1-3-6-14/h1-9,11-12H,10H2,(H,24,25)/b7-4+