ditert-butyl 2-(4-methylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-methylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate Openeye Name: ditert-butyl 2-(4-methylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate CAS Name: 2-[4-(methylthio)phenyl]iminoimidazolidine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-methylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate Traditional Name: 2-[4-(methylthio)phenyl]iminoimidazolidine-1,3-dicarboxylic acid ditert-butyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C1=NC2=CC=C(C=C2)SC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C1=NC2=CC=C(C=C2)SC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O4S/c1-19(2,3)26-17(24)22-12-13-23(18(25)27-20(4,5)6)16(22)21-14-8-10-15(28-7)11-9-14/h8-11H,12-13H2,1-7H3