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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H23NO3S2/c1-12(18(23)21-8-13-5-14(9-21)7-15(6-13)10-21)25-20(24)16-11-27-19(22-16)17-3-2-4-26-17/h2-4,11-15H,5-10H2,1H3