methyl 2-ethynyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethynyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-ethynyl-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-ethynyl-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#C)N2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#C)N2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C14H12N2O4S/c1-4-10-7-12(16-6-5-15-9-16)13(21(3,18)19)8-11(10)14(17)20-2/h1,5-9H,2-3H3