phenacyl 2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: phenacyl 2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: phenacyl 2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(methylthio)butanoic acid phenacyl ester IUPAC Name: phenacyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(methylthio)butyric acid phenacyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4S/c1-30-8-7-20(22(27)29-15-21(26)19-5-3-2-4-6-19)25-23(28)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-6,16-18,20H,7-15H2,1H3,(H,25,28)