ethyl 2-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H23BrN2O5S2 MolecularWeight: 527.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCOC)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCOC)Br

InChI

InChI=1S/C21H23BrN2O5S2/c1-3-28-20(26)17-13-5-4-6-16(13)31-19(17)24-21(30)23-18(25)12-7-8-15(14(22)11-12)29-10-9-27-2/h7-8,11H,3-6,9-10H2,1-2H3,(H2,23,24,25,30)