ethyl 2-[[3-(trifluoromethyl)phenyl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(trifluoromethyl)phenyl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(trifluoromethyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(trifluoromethyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(trifluoromethyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H20F3NO3S MolecularWeight: 411.43791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3NO3S/c1-2-27-19(26)16-14-9-4-3-5-10-15(14)28-18(16)24-17(25)12-7-6-8-13(11-12)20(21,22)23/h6-8,11H,2-5,9-10H2,1H3,(H,24,25)