5-[3-cyano-4-(2-methylpropoxy)phenyl]-3-fluoranyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-3-fluoranyl-thiophene-2-carboxylic acid Openeye Name: 5-(3-cyano-4-isobutoxy-phenyl)-3-fluoro-thiophene-2-carboxylic acid CAS Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-3-fluoro-2-thiophenecarboxylic acid IUPAC Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-3-fluorothiophene-2-carboxylic acid Traditional Name: 5-(3-cyano-4-isobutoxy-phenyl)-3-fluoro-2-thenoic acid Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=CC(=C(S2)C(=O)O)F)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=CC(=C(S2)C(=O)O)F)C#N

InChI

InChI=1S/C16H14FNO3S/c1-9(2)8-21-13-4-3-10(5-11(13)7-18)14-6-12(17)15(22-14)16(19)20/h3-6,9H,8H2,1-2H3,(H,19,20)