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

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21N3O4S/c1-27-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)13-28-21(26)15-2-7-18-19(12-15)29-14-22-18/h2-7,12,14H,8-11,13H2,1H3