methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonyl-benzoate CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-2-ethynyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-methylsulfonylbenzoate Traditional Name: 4-(2,4-dimethylimidazol-1-yl)-2-ethynyl-5-mesyl-benzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C(=N1)C)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H16N2O4S/c1-6-12-7-14(18-9-10(2)17-11(18)3)15(23(5,20)21)8-13(12)16(19)22-4/h1,7-9H,2-5H3