2-[(4S)-2-(1-adamantyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4S)-2-(1-adamantyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4S)-2-(1-adamantyl)-4,5-dihydrooxazol-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(4S)-2-(1-adamantyl)-4,5-dihydrooxazol-4-yl]ethyl ester IUPAC Name: 2-[(4S)-2-(1-adamantyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4S)-2-(1-adamantyl)-2-oxazolin-4-yl]ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2COC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2COC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO4S/c1-15-2-4-20(5-3-15)28(24,25)27-7-6-19-14-26-21(23-19)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-19H,6-14H2,1H3/t16?,17?,18?,19-,22?/m0/s1