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

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H20ClN3O3S/c1-28-21(27)19(15-4-2-3-5-16(15)22)24-8-10-25(11-9-24)20(26)14-6-7-17-18(12-14)29-13-23-17/h2-7,12-13,19H,8-11H2,1H3