[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-methylmorpholin-4-yl)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(2-methyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(2-methylmorpholino)ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O5S/c1-17-14-28(6-7-32-17)24(30)15-33-25(31)21-4-2-3-5-22(21)34-16-23(29)27-26-11-18-8-19(12-26)10-20(9-18)13-26/h2-5,17-20H,6-16H2,1H3,(H,27,29)