ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H28ClNO3S MolecularWeight: 458.01272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28ClNO3S/c1-2-30-24(29)22-19(18-5-3-4-6-20(18)26)14-31-23(22)27-21(28)13-25-10-15-7-16(11-25)9-17(8-15)12-25/h3-6,14-17H,2,7-13H2,1H3,(H,27,28)