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

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN3O2S/c1-26-19(25)18(14-6-2-3-7-15(14)21)23-10-12-24(13-11-23)20-22-16-8-4-5-9-17(16)27-20/h2-9,18H,10-13H2,1H3