[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(4-methyl-2-oxo-thiazol-3-yl)propanoate CAS Name: 3-(4-methyl-2-oxo-3-thiazolyl)propanoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-4-methyl-4-thiazolin-3-yl)propionic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=O)N1CCC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O4S/c1-12-11-27-19(25)22(12)4-3-17(23)26-13(2)18(24)21-20-8-14-5-15(9-20)7-16(6-14)10-20/h11,13-16H,3-10H2,1-2H3,(H,21,24)