(4-methylsulfanylphenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [4-(methylthio)benzyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-27-19-4-2-15(3-5-19)14-26-21(25)13-23-20(24)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,16-18H,6-14H2,1H3,(H,23,24)