methyl 3-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]methyl]benzoic acid methyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

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