(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-24-16(21)12-22-17(24)13-26-19(25)20(9-5-2-6-10-20)11-18-23-14-7-3-4-8-15(14)27-18/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3