[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO4S/c1-28-18-4-2-17(3-5-18)19(24)13-27-20(25)12-23-21(26)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H,23,26)