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

Systemtic Name: [(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NC3=CC=CC=C3O2)C(C)C

InChI

InChI=1S/C19H25NO3S/c1-12(2)14-9-8-13(3)10-17(14)22-18(21)11-24-19-20-15-6-4-5-7-16(15)23-19/h4-7,12-14,17H,8-11H2,1-3H3/t13-,14-,17-/m1/s1