3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-cyano-5-(methylthio)-2-thenoic acid Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)O

InChI

InChI=1S/C17H17NO2S2/c1-17(2,3)11-7-5-10(6-8-11)13-12(9-18)16(21-4)22-14(13)15(19)20/h5-8H,1-4H3,(H,19,20)