ethyl 2-[2-[(3-chloranyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-chloranyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-chloro-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-chloroadamantane-1-carbonyl)oxyacetyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H35ClN2O6S MolecularWeight: 539.0839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C26H35ClN2O6S/c1-5-29(6-2)22(31)20-15(4)19(23(32)34-7-3)21(36-20)28-18(30)13-35-24(33)25-9-16-8-17(10-25)12-26(27,11-16)14-25/h16-17H,5-14H2,1-4H3,(H,28,30)