[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O4S/c1-31-19-4-2-3-18(10-19)25-20(27)14-30-21(28)5-6-24-22(29)26-23-11-15-7-16(12-23)9-17(8-15)13-23/h2-4,10,15-17H,5-9,11-14H2,1H3,(H,25,27)(H2,24,26,29)