[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)NC

InChI

InChI=1S/C19H26N2O3S/c1-10-15(17(20-3)25-21-10)18(23)24-11(2)16(22)19-7-12-4-13(8-19)6-14(5-12)9-19/h11-14,20H,4-9H2,1-3H3