methyl 2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(3-bromo-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H26BrNO5S/c1-28-19(26)17-14-3-2-4-15(14)30-18(17)24-16(25)10-29-20(27)21-6-12-5-13(7-21)9-22(23,8-12)11-21/h12-13H,2-11H2,1H3,(H,24,25)