methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-ethyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-ethylpiperazin-1-yl)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-ethylpiperazino)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-5-23-8-10-24(11-9-23)16-7-6-15(12-17(16)25(28)29)19(26)22-20-18(21(27)30-4)13(2)14(3)31-20/h6-7,12H,5,8-11H2,1-4H3,(H,22,26)