ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(2,2,2-trifluoroethoxy)anilino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H26F6N2O4S2 MolecularWeight: 584.594659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C24H26F6N2O4S2/c1-2-34-21(33)19-17-7-5-3-4-6-8-18(17)38-20(19)32-22(37)31-14-9-15(35-12-23(25,26)27)11-16(10-14)36-13-24(28,29)30/h9-11H,2-8,12-13H2,1H3,(H2,31,32,37)