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

Systemtic Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-ethyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-ethylpiperazino)-3-nitro-benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-3-24-9-11-25(12-10-24)16-8-7-14(13-17(16)26(29)30)20(27)23-21-19(22(28)31-2)15-5-4-6-18(15)32-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,23,27)