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

Systemtic Name: methyl 3-[2-[1-adamantylmethyl(methyl)amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1-adamantylmethyl(methyl)amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[1-adamantylmethyl(methyl)amino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1-adamantylmethyl(methyl)amino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[1-adamantylmethyl(methyl)amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(SC=C1)C(=O)OC)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC(=O)NC1=C(SC=C1)C(=O)OC)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O3S/c1-22(11-17(23)21-16-3-4-26-18(16)19(24)25-2)12-20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-12H2,1-2H3,(H,21,23)