[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H18ClN3O3S/c21-15-3-1-2-4-17(15)23-7-9-24(10-8-23)19(25)12-27-20(26)14-5-6-16-18(11-14)28-13-22-16/h1-6,11,13H,7-10,12H2