methyl 5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboxylate Openeye Name: methyl 4-(benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(benzenesulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonyl)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-besyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H12O4S3 MolecularWeight: 328.42698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12O4S3/c1-17-12(14)10-8-11(13(18-2)19-10)20(15,16)9-6-4-3-5-7-9/h3-8H,1-2H3