(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H24N2O4S/c24-18(26-11-16-12-27-19(23-16)17-2-1-3-28-17)10-22-20(25)21-7-13-4-14(8-21)6-15(5-13)9-21/h1-3,12-15H,4-11H2,(H,22,25)