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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H29NO5S2 MolecularWeight: 439.58866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)OC3CC(CCC3C(C)C)C

InChI

InChI=1S/C21H29NO5S2/c1-5-29(24,25)15-7-9-18-17(11-15)22-21(27-18)28-12-20(23)26-19-10-14(4)6-8-16(19)13(2)3/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3