methyl 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 3-(3-methylphenoxy)sulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C20H15F3O5S2 MolecularWeight: 456.45531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OS(=O)(=O)C2=C(SC(=C2C3=CC=CC=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OS(=O)(=O)C2=C(SC(=C2C3=CC=CC=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H15F3O5S2/c1-12-7-6-10-14(11-12)28-30(25,26)17-15(13-8-4-3-5-9-13)18(20(21,22)23)29-16(17)19(24)27-2/h3-11H,1-2H3