ethyl 4-(4-chlorophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[(2-ethyl-1-oxohexyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H26ClNO3S MolecularWeight: 407.95404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H26ClNO3S/c1-4-7-8-14(5-2)19(24)23-20-18(21(25)26-6-3)17(13-27-20)15-9-11-16(22)12-10-15/h9-14H,4-8H2,1-3H3,(H,23,24)