tert-butyl 2-azanyl-4-methyl-5-[4-(trifluoromethyloxy)phenyl]thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-methyl-5-[4-(trifluoromethyloxy)phenyl]thiophene-3-carboxylate Openeye Name: tert-butyl 2-amino-4-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylate CAS Name: 2-amino-4-methyl-5-[4-(trifluoromethoxy)phenyl]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid tert-butyl ester Formula: C17H18F3NO3S MolecularWeight: 373.38993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)N)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)N)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H18F3NO3S/c1-9-12(15(22)24-16(2,3)4)14(21)25-13(9)10-5-7-11(8-6-10)23-17(18,19)20/h5-8H,21H2,1-4H3