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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O3S/c27-23(28-14-20-25-21(26-29-20)15-8-2-1-3-9-15)17-11-5-4-10-16(17)22-24-18-12-6-7-13-19(18)30-22/h1-3,6-9,12-13,16-17H,4-5,10-11,14H2