ethyl 3-(4-methylsulfonyl-2-nitro-phenoxy)-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-methylsulfonyl-2-nitro-phenoxy)-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(4-methylsulfonyl-2-nitro-phenoxy)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-(4-methylsulfonyl-2-nitrophenoxy)-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylsulfonyl-2-nitrophenoxy)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(4-mesyl-2-nitro-phenoxy)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H17NO7S2 MolecularWeight: 447.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO7S2/c1-3-27-20(22)19-17(12-18(29-19)13-7-5-4-6-8-13)28-16-10-9-14(30(2,25)26)11-15(16)21(23)24/h4-12H,3H2,1-2H3