4-(furan-2-yl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(furan-2-yl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-furyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-furanyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(furan-2-yl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-furyl)-5-mesyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CO2)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-7-10(13(15)16)11(9-5-4-6-19-9)12(8(2)14-7)20(3,17)18/h4-6,11,14H,1-3H3,(H,15,16)