methyl 2-ethynyl-4-(4-iodanyl-4-methyl-imidazol-2-yl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-(4-iodanyl-4-methyl-imidazol-2-yl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethynyl-4-(4-iodo-4-methyl-imidazol-2-yl)-5-methylsulfonyl-benzoate CAS Name: 2-ethynyl-4-(4-iodo-4-methyl-2-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-(4-iodo-4-methylimidazol-2-yl)-5-methylsulfonylbenzoate Traditional Name: 2-ethynyl-4-(4-iodo-4-methyl-imidazol-2-yl)-5-mesyl-benzoic acid methyl ester Formula: C15H13IN2O4S MolecularWeight: 444.24419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=NC(=N1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C)I

Isomeric SMILES

CC1(C=NC(=N1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C)I

InChI

InChI=1S/C15H13IN2O4S/c1-5-9-6-11(13-17-8-15(2,16)18-13)12(23(4,20)21)7-10(9)14(19)22-3/h1,6-8H,2-4H3