ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(2,2,2-trifluoroethoxy)anilino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H24F6N2O4S2 MolecularWeight: 570.568079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C23H24F6N2O4S2/c1-2-33-20(32)18-16-6-4-3-5-7-17(16)37-19(18)31-21(36)30-13-8-14(34-11-22(24,25)26)10-15(9-13)35-12-23(27,28)29/h8-10H,2-7,11-12H2,1H3,(H2,30,31,36)