[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H27NO4S MolecularWeight: 425.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO4S/c1-15-6-19(25-29-15)14-30-21-5-3-2-4-20(21)23(27)28-13-22(26)24-10-16-7-17(11-24)9-18(8-16)12-24/h2-6,16-18H,7-14H2,1H3