ethyl 2-methylsulfanyl-5-(2-phenoxypropanoylamino)-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-5-(2-phenoxypropanoylamino)-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 3-benzyl-2-methylsulfanyl-5-(2-phenoxypropanoylamino)imidazole-4-carboxylate CAS Name: 2-(methylthio)-5-[(1-oxo-2-phenoxypropyl)amino]-3-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-methylsulfanyl-5-(2-phenoxypropanoylamino)imidazole-4-carboxylate Traditional Name: 3-benzyl-2-(methylthio)-5-(2-phenoxypropanoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-4-29-22(28)19-20(24-21(27)16(2)30-18-13-9-6-10-14-18)25-23(31-3)26(19)15-17-11-7-5-8-12-17/h5-14,16H,4,15H2,1-3H3,(H,24,27)