[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[hexyl-(4-phenyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H36N2O3S/c1-2-3-4-8-11-30(27-29-24(19-34-27)23-9-6-5-7-10-23)25(31)18-33-26(32)28-15-20-12-21(16-28)14-22(13-20)17-28/h5-7,9-10,19-22H,2-4,8,11-18H2,1H3