methyl 4-cyano-5-methylsulfonyl-3-thiophen-2-yl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-methylsulfonyl-3-thiophen-2-yl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-methylsulfonyl-3-(2-thienyl)thiophene-2-carboxylate CAS Name: 4-cyano-5-methylsulfonyl-3-thiophen-2-yl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-methylsulfonyl-3-thiophen-2-ylthiophene-2-carboxylate Traditional Name: 4-cyano-5-mesyl-3-(2-thienyl)thiophene-2-carboxylic acid methyl ester Formula: C12H9NO4S3 MolecularWeight: 327.39916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)S(=O)(=O)C)C#N)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)S(=O)(=O)C)C#N)C2=CC=CS2

InChI

InChI=1S/C12H9NO4S3/c1-17-11(14)10-9(8-4-3-5-18-8)7(6-13)12(19-10)20(2,15)16/h3-5H,1-2H3