ethyl 2-[2-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyloxy]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyloxy]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5S,7R)-3-bromoadamantane-1-carbonyl]oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[(5S,7R)-3-bromo-1-adamantyl]-oxomethoxy]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5S,7R)-3-bromoadamantane-1-carbonyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5S,7R)-3-bromoadamantane-1-carbonyl]oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28BrNO5S MolecularWeight: 498.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C(=O)OCC

InChI

InChI=1S/C22H28BrNO5S/c1-3-15-6-16(19(26)28-4-2)18(30-15)24-17(25)11-29-20(27)21-7-13-5-14(8-21)10-22(23,9-13)12-21/h6,13-14H,3-5,7-12H2,1-2H3,(H,24,25)/t13-,14+,21?,22?