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

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H28N2O3S/c1-12-4-16(19(24)25-3)18(26-12)21-17(23)11-22(2)20-8-13-5-14(9-20)7-15(6-13)10-20/h4,13-15H,5-11H2,1-3H3,(H,21,23)