[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4)NC(=O)C)C

InChI

InChI=1S/C26H32N2O5S/c1-15-16(2)34-24(27-17(3)29)23(15)25(31)33-14-22(30)28(13-21-5-4-6-32-21)26-10-18-7-19(11-26)9-20(8-18)12-26/h4-6,18-20H,7-14H2,1-3H3,(H,27,29)