[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H27NO4S MolecularWeight: 377.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO4S/c1-12-17(13(2)25-21-12)10-26-11-19(23)24-9-18(22)20-6-14-3-15(7-20)5-16(4-14)8-20/h14-16H,3-11H2,1-2H3