ethyl 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: ethyl 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazino]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H22ClN3O3S/c1-2-29-22(28)20(15-3-6-17(23)7-4-15)25-9-11-26(12-10-25)21(27)16-5-8-18-19(13-16)30-14-24-18/h3-8,13-14,20H,2,9-12H2,1H3