ethyl 2-[2-[(3-acetamido-1-adamantyl)carbonyloxy]ethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-acetamido-1-adamantyl)carbonyloxy]ethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-4-(2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamido-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-4-(2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H30N2O7S/c1-3-33-23(31)21-18(19-5-4-6-34-19)13-36-22(21)27-20(30)12-35-24(32)25-8-16-7-17(9-25)11-26(10-16,14-25)28-15(2)29/h4-6,13,16-17H,3,7-12,14H2,1-2H3,(H,27,30)(H,28,29)