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

Systemtic Name: methyl 2-ethynyl-5-methylsulfonyl-4-(4-oxidanylidenepyridin-1-yl)benzoate Openeye Name: methyl 2-ethynyl-5-methylsulfonyl-4-(4-oxo-1-pyridyl)benzoate CAS Name: 2-ethynyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-5-methylsulfonyl-4-(4-oxopyridin-1-yl)benzoate Traditional Name: 2-ethynyl-4-(4-keto-1-pyridyl)-5-mesyl-benzoic acid methyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c1-4-11-9-14(17-7-5-12(18)6-8-17)15(23(3,20)21)10-13(11)16(19)22-2/h1,5-10H,2-3H3