ethyl 4-phenyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-27-22(26)20-18(17-11-7-4-8-12-17)15-28-21(20)24-19(25)14-23-13-16-9-5-3-6-10-16/h3-12,15,23H,2,13-14H2,1H3,(H,24,25)