[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-methyl-2-oxo-thiazol-3-yl)acetate CAS Name: 2-(4-methyl-2-oxo-3-thiazolyl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate Traditional Name: 2-(2-keto-4-methyl-4-thiazolin-3-yl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=O)N1CC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O4S/c1-14-13-29-20(27)23(14)11-19(26)28-12-18(25)24(4-2-3-22)21-8-15-5-16(9-21)7-17(6-15)10-21/h13,15-17H,2,4-12H2,1H3