ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(2,2,2-trifluoroethoxy)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22F6N2O4S2 MolecularWeight: 556.541499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C22H22F6N2O4S2/c1-2-32-19(31)17-15-5-3-4-6-16(15)36-18(17)30-20(35)29-12-7-13(33-10-21(23,24)25)9-14(8-12)34-11-22(26,27)28/h7-9H,2-6,10-11H2,1H3,(H2,29,30,35)