methyl 3-(2-methylsulfonylpyridin-3-yl)cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: methyl 3-(2-methylsulfonylpyridin-3-yl)cyclopenta-2,4-diene-1-carboxylate Openeye Name: methyl 3-(2-methylsulfonyl-3-pyridyl)cyclopenta-2,4-diene-1-carboxylate CAS Name: 3-(2-methylsulfonyl-3-pyridinyl)-1-cyclopenta-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfonylpyridin-3-yl)cyclopenta-2,4-diene-1-carboxylate Traditional Name: 3-(2-mesyl-3-pyridyl)cyclopenta-2,4-diene-1-carboxylic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC(=C1)C2=C(N=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1C=CC(=C1)C2=C(N=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C13H13NO4S/c1-18-13(15)10-6-5-9(8-10)11-4-3-7-14-12(11)19(2,16)17/h3-8,10H,1-2H3