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

Systemtic Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-(3-cyano-4-isobutoxy-phenyl)thiophene-2-carboxylic acid CAS Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-(3-cyano-4-isobutoxy-phenyl)-2-thenoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-10(2)9-20-13-4-3-11(7-12(13)8-17)14-5-6-15(21-14)16(18)19/h3-7,10H,9H2,1-2H3,(H,18,19)