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

Systemtic Name: ethyl 2-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,4-difluorophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,4-difluorophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(2,4-difluorophenyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H22F2N2O2S2 MolecularWeight: 424.527686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N2O2S2/c1-2-26-19(25)17-13-7-5-3-4-6-8-16(13)28-18(17)24-20(27)23-15-10-9-12(21)11-14(15)22/h9-11H,2-8H2,1H3,(H2,23,24,27)