[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C25H26N2O4S/c28-23(14-31-24(29)19-3-4-21-22(9-19)32-15-26-21)27(13-20-2-1-5-30-20)25-10-16-6-17(11-25)8-18(7-16)12-25/h1-5,9,15-18H,6-8,10-14H2