[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-2-24-9-11-25(12-10-24)21-23-18-8-7-17(13-19(18)29-21)28-20(26)14-27-16-5-3-15(22)4-6-16/h3-8,13H,2,9-12,14H2,1H3