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

Systemtic Name: [2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H23N3O3S/c1-16-4-2-3-5-18(16)13-24-8-10-25(11-9-24)21(26)14-28-22(27)17-6-7-19-20(12-17)29-15-23-19/h2-7,12,15H,8-11,13-14H2,1H3