methyl 4-cyano-3-(4-methylphenyl)-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-(4-methylphenyl)-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-methylsulfanyl-3-(p-tolyl)thiophene-2-carboxylate CAS Name: 4-cyano-3-(4-methylphenyl)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-(4-methylphenyl)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(methylthio)-3-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C15H13NO2S2 MolecularWeight: 303.39922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)OC

InChI

InChI=1S/C15H13NO2S2/c1-9-4-6-10(7-5-9)12-11(8-16)15(19-3)20-13(12)14(17)18-2/h4-7H,1-3H3