[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H20ClN3O2S2/c1-2-25-9-11-26(12-10-25)22-24-16-8-7-14(13-18(16)30-22)28-21(27)20-19(23)15-5-3-4-6-17(15)29-20/h3-8,13H,2,9-12H2,1H3