methyl 2-(6-methylsulfonyl-1H-indol-3-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-(6-methylsulfonyl-1H-indol-3-yl)-3-oxidanylidene-propanoate Openeye Name: methyl 2-(6-methylsulfonyl-1H-indol-3-yl)-3-oxo-propanoate CAS Name: 2-(6-methylsulfonyl-1H-indol-3-yl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(6-methylsulfonyl-1H-indol-3-yl)-3-oxopropanoate Traditional Name: 3-keto-2-(6-mesyl-1H-indol-3-yl)propionic acid methyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=O)C1=CNC2=C1C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(C=O)C1=CNC2=C1C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C13H13NO5S/c1-19-13(16)11(7-15)10-6-14-12-5-8(20(2,17)18)3-4-9(10)12/h3-7,11,14H,1-2H3