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

Systemtic Name: ethyl 2-[2-[3-(trifluoromethyl)phenoxy]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-2-28-20(27)18-15-9-4-3-5-10-16(15)30-19(18)25-17(26)12-29-14-8-6-7-13(11-14)21(22,23)24/h6-8,11H,2-5,9-10,12H2,1H3,(H,25,26)