2-[2-(cyanomethyl)pyrrol-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[2-(cyanomethyl)pyrrol-1-yl]ethyl methanesulfonate Openeye Name: 2-[2-(cyanomethyl)pyrrol-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-(cyanomethyl)-1-pyrrolyl]ethyl ester IUPAC Name: 2-[2-(cyanomethyl)pyrrol-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-(cyanomethyl)pyrrol-1-yl]ethyl ester Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1C=CC=C1CC#N

Isomeric SMILES

CS(=O)(=O)OCCN1C=CC=C1CC#N

InChI

InChI=1S/C9H12N2O3S/c1-15(12,13)14-8-7-11-6-2-3-9(11)4-5-10/h2-3,6H,4,7-8H2,1H3