[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c26-20(24-14-23-9-15-6-16(10-23)8-17(7-15)11-23)12-28-22(27)19-13-29-21(25-19)18-4-2-1-3-5-18/h1-5,13,15-17H,6-12,14H2,(H,24,26)