4-ethoxycarbonyloxy-2-ethyl-5-methylsulfanyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]imidazole

Systemtic Name: 4-ethoxycarbonyloxy-2-ethyl-5-methylsulfanyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]imidazole Openeye Name: 4-ethoxycarbonyloxy-2-ethyl-5-methylsulfanyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]imidazole CAS Name: 4-ethoxycarbonyloxy-2-ethyl-5-(methylthio)-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]imidazole IUPAC Name: 4-ethoxycarbonyloxy-2-ethyl-5-methylsulfanyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]imidazole Traditional Name: 4-carbethoxyoxy-2-ethyl-5-(methylthio)-1-[4-[2-(sulfinatoamino)phenyl]benzyl]imidazole Formula: C22H24N3O5S2- MolecularWeight: 474.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)[O-])SC)OC(=O)OCC

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)[O-])SC)OC(=O)OCC

InChI

InChI=1S/C22H25N3O5S2/c1-4-19-23-20(30-22(26)29-5-2)21(31-3)25(19)14-15-10-12-16(13-11-15)17-8-6-7-9-18(17)24-32(27)28/h6-13,24H,4-5,14H2,1-3H3,(H,27,28)/p-1