2-cyano-4-methyl-3-(thiophen-3-ylmethyl)benzoic acid

Systemtic Name: 2-cyano-4-methyl-3-(thiophen-3-ylmethyl)benzoic acid Openeye Name: 2-cyano-4-methyl-3-(3-thienylmethyl)benzoic acid CAS Name: 2-cyano-4-methyl-3-(3-thiophenylmethyl)benzoic acid IUPAC Name: 2-cyano-4-methyl-3-(thiophen-3-ylmethyl)benzoic acid Traditional Name: 2-cyano-4-methyl-3-(3-thenyl)benzoic acid Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)C#N)CC2=CSC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)C#N)CC2=CSC=C2

InChI

InChI=1S/C14H11NO2S/c1-9-2-3-11(14(16)17)13(7-15)12(9)6-10-4-5-18-8-10/h2-5,8H,6H2,1H3,(H,16,17)