ethyl 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylate Openeye Name: ethyl 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylate CAS Name: 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylate Traditional Name: 4-(4-mesylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H17NO6S2/c1-3-27-20(22)18-12-17(13-6-10-16(11-7-13)29(2,25)26)19(28-18)14-4-8-15(9-5-14)21(23)24/h4-12H,3H2,1-2H3