[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=C(SN=N1)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H25N3O3S/c1-3-14-15(25-21-20-14)17(23)24-10(2)16(22)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,3-9H2,1-2H3,(H,19,22)/t10-,11?,12?,13?,18?/m1/s1