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

Systemtic Name: ethyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O3S/c1-4-26-20(25)17-5-13(2)27-19(17)22-18(24)12-23(3)21-9-14-6-15(10-21)8-16(7-14)11-21/h5,14-16H,4,6-12H2,1-3H3,(H,22,24)