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

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O4S/c1-28(26-11-16-8-17(12-26)10-18(9-16)13-26)14-22(29)27-24-23(25(30)32-3)21(15-33-24)19-4-6-20(31-2)7-5-19/h4-7,15-18H,8-14H2,1-3H3,(H,27,29)