(2-methyl-1,3-thiazol-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (2-methylthiazol-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-methylthiazol-4-yl)methyl ester Formula: C17H22BrNO2S MolecularWeight: 384.33108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=NC(=CS1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H22BrNO2S/c1-11-19-14(9-22-11)8-21-15(20)7-16-3-12-2-13(4-16)6-17(18,5-12)10-16/h9,12-13H,2-8,10H2,1H3/t12-,13+,16?,17?