ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H33NO4S MolecularWeight: 467.62022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H33NO4S/c1-4-32-26(30)24-23(20-5-7-21(31-3)8-6-20)16(2)33-25(24)28-22(29)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h5-8,17-19H,4,9-15H2,1-3H3,(H,28,29)