(3-methyl-3-sulfanyl-butyl) 2-[[(3-carboxyoxyphenyl)-(4-methylphenyl)amino]methyl]-4,5-dihydroimidazole-1-carboxylate

Systemtic Name: (3-methyl-3-sulfanyl-butyl) 2-[[(3-carboxyoxyphenyl)-(4-methylphenyl)amino]methyl]-4,5-dihydroimidazole-1-carboxylate Openeye Name: (3-methyl-3-sulfanyl-butyl) 2-[(N-(3-carboxyoxyphenyl)-4-methyl-anilino)methyl]-4,5-dihydroimidazole-1-carboxylate CAS Name: 2-[(N-(3-carboxyoxyphenyl)-4-methylanilino)methyl]-4,5-dihydroimidazole-1-carboxylic acid (3-mercapto-3-methylbutyl) ester IUPAC Name: (3-methyl-3-sulfanylbutyl) 2-[(N-(3-carboxyoxyphenyl)-4-methylanilino)methyl]-4,5-dihydroimidazole-1-carboxylate Traditional Name: 2-[(N-(3-carboxyoxyphenyl)-4-methyl-anilino)methyl]-2-imidazoline-1-carboxylic acid (3-mercapto-3-methyl-butyl) ester Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=NCCN2C(=O)OCCC(C)(C)S)C3=CC(=CC=C3)OC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=NCCN2C(=O)OCCC(C)(C)S)C3=CC(=CC=C3)OC(=O)O

InChI

InChI=1S/C24H29N3O5S/c1-17-7-9-18(10-8-17)27(19-5-4-6-20(15-19)32-23(29)30)16-21-25-12-13-26(21)22(28)31-14-11-24(2,3)33/h4-10,15,33H,11-14,16H2,1-3H3,(H,29,30)