methyl 2-ethynyl-5-methylsulfonyl-4-pyridin-3-yl-benzoate

Systemtic Name: methyl 2-ethynyl-5-methylsulfonyl-4-pyridin-3-yl-benzoate Openeye Name: methyl 2-ethynyl-5-methylsulfonyl-4-(3-pyridyl)benzoate CAS Name: 2-ethynyl-5-methylsulfonyl-4-(3-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-5-methylsulfonyl-4-pyridin-3-ylbenzoate Traditional Name: 2-ethynyl-5-mesyl-4-(3-pyridyl)benzoic acid methyl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c1-4-11-8-13(12-6-5-7-17-10-12)15(22(3,19)20)9-14(11)16(18)21-2/h1,5-10H,2-3H3