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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-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-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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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)Br

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H18BrN3O2S2/c1-2-21-7-9-22(10-8-21)18-20-13-4-3-12(11-15(13)26-18)24-17(23)14-5-6-16(19)25-14/h3-6,11H,2,7-10H2,1H3