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

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3O2S/c1-27-21(26)20(15-6-8-16(22)9-7-15)25-12-10-24(11-13-25)14-19-23-17-4-2-3-5-18(17)28-19/h2-9,20H,10-14H2,1H3