ethyl 2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-bromo-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H28BrNO5S/c1-2-29-20(27)18-16(15-3-4-15)11-31-19(18)25-17(26)10-30-21(28)22-6-13-5-14(7-22)9-23(24,8-13)12-22/h11,13-15H,2-10,12H2,1H3,(H,25,26)