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

Systemtic Name: methyl 2-ethynyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoate Openeye Name: methyl 2-ethynyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoate CAS Name: 2-ethynyl-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-5-methylsulfonyl-4-pyrrol-1-ylbenzoate Traditional Name: 2-ethynyl-5-mesyl-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c1-4-11-9-13(16-7-5-6-8-16)14(21(3,18)19)10-12(11)15(17)20-2/h1,5-10H,2-3H3