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

Systemtic Name: ethyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c1-3-31-25(30)23-21(20-7-5-4-6-8-20)16-32-24(23)27-22(29)15-28(2)26-12-17-9-18(13-26)11-19(10-17)14-26/h4-8,16-19H,3,9-15H2,1-2H3,(H,27,29)