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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(C)C34CC5CC(C3)CC(C5)C4

InChI

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