[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CSC(=N4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CSC(=N4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H22ClNO3S/c23-17-3-1-2-16(7-17)20-24-18(12-28-20)21(26)27-11-19(25)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,12-15H,4-6,8-11H2