ethyl 2-[2-[(3-acetamido-1-adamantyl)carbonyloxy]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-acetamido-1-adamantyl)carbonyloxy]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamido-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetamidoadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O6S MolecularWeight: 538.65506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C29H34N2O6S/c1-4-36-26(34)24-23(21-8-6-5-7-9-21)17(2)38-25(24)30-22(33)15-37-27(35)28-11-19-10-20(12-28)14-29(13-19,16-28)31-18(3)32/h5-9,19-20H,4,10-16H2,1-3H3,(H,30,33)(H,31,32)