(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C22H20N2O3S2/c25-22(26-13-14-12-18(27-24-14)20-10-5-11-28-20)16-7-2-1-6-15(16)21-23-17-8-3-4-9-19(17)29-21/h3-5,8-12,15-16H,1-2,6-7,13H2