[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H24N2O3S2/c1-12(26-20(25)16-11-28-19(22-16)17-3-2-4-27-17)18(24)23-21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11-15H,5-10H2,1H3,(H,23,24)/t12-,13?,14?,15?,21?/m1/s1