(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O3S/c1-14(2)19-23-17(27-24-19)13-26-20(25)21(10-6-3-7-11-21)12-18-22-15-8-4-5-9-16(15)28-18/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3