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

Systemtic Name: 5-[3-cyano-5-fluoranyl-4-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-(3-cyano-5-fluoro-4-isobutoxy-phenyl)thiophene-2-carboxylic acid CAS Name: 5-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-cyano-5-fluoro-4-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-(3-cyano-5-fluoro-4-isobutoxy-phenyl)-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=C1C#N)C2=CC=C(S2)C(=O)O)F

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1C#N)C2=CC=C(S2)C(=O)O)F

InChI

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