methyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-30-22(27)19-15-7-6-8-18(15)31-21(19)23-20(26)14-9-10-16(17(13-14)25(28)29)24-11-4-2-3-5-12-24/h9-10,13H,2-8,11-12H2,1H3,(H,23,26)