methyl 5-methylsulfanyl-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]thiazol-2-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]-2-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[4-[4-(triflylamino)phenyl]thiazol-2-yl]thiophene-2-carboxylic acid methyl ester Formula: C17H13F3N2O4S4 MolecularWeight: 494.55133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4S4/c1-26-15(23)13-7-11(16(27-2)29-13)14-21-12(8-28-14)9-3-5-10(6-4-9)22-30(24,25)17(18,19)20/h3-8,22H,1-2H3