ethyl 2-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S2/c1-2-30-21(27)18-13-7-5-9-17(13)33-20(18)24-22(32)23-19(26)16-11-10-15(31-16)12-6-3-4-8-14(12)25(28)29/h3-4,6,8,10-11H,2,5,7,9H2,1H3,(H2,23,24,26,32)