(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetate CAS Name: 2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C(C)C

InChI

InChI=1S/C21H27NO5S/c1-13(2)15-9-8-14(3)10-18(15)26-19(23)11-25-20(24)12-28-21-22-16-6-4-5-7-17(16)27-21/h4-7,13-15,18H,8-12H2,1-3H3