ethyl 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-tert-butylphenyl)-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid ethyl ester Formula: C19H21NO2S2 MolecularWeight: 359.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H21NO2S2/c1-6-22-17(21)16-15(14(11-20)18(23-5)24-16)12-7-9-13(10-8-12)19(2,3)4/h7-10H,6H2,1-5H3