ethyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

InChI

InChI=1S/C22H32N2O3S/c1-4-17-9-18(21(26)27-5-2)20(28-17)23-19(25)13-24(3)22-10-14-6-15(11-22)8-16(7-14)12-22/h9,14-16H,4-8,10-13H2,1-3H3,(H,23,25)