[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-2-20-7-9-21(10-8-20)18-19-13-4-3-12(11-15(13)28-18)26-17(23)14-5-6-16(27-14)22(24)25/h3-6,11H,2,7-10H2,1H3