ethyl 3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfinyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfinyl-imidazole-4-carboxylate Openeye Name: ethyl 2-benzylsulfinyl-3-(2,6-diethylphenyl)imidazole-4-carboxylate CAS Name: 3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfinyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfinyl-3-(2,6-diethylphenyl)imidazole-4-carboxylate Traditional Name: 2-benzylsulfinyl-3-(2,6-diethylphenyl)imidazole-4-carboxylic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2S(=O)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2S(=O)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H26N2O3S/c1-4-18-13-10-14-19(5-2)21(18)25-20(22(26)28-6-3)15-24-23(25)29(27)16-17-11-8-7-9-12-17/h7-15H,4-6,16H2,1-3H3