ethyl 3-[2-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[2-(3-bromo-1-adamantyl)-1-oxoethoxy]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H30BrNO5S MolecularWeight: 560.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C27H30BrNO5S/c1-2-33-25(32)24-20(9-21(35-24)19-6-4-3-5-7-19)29-22(30)15-34-23(31)14-26-10-17-8-18(11-26)13-27(28,12-17)16-26/h3-7,9,17-18H,2,8,10-16H2,1H3,(H,29,30)