3-[1-(3-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate

Systemtic Name: 3-[1-(3-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate Openeye Name: 3-[1-(3-cyano-2,2-dimethyl-chromen-4-yl)-2-oxo-4-pyridyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[1-(3-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]propyl ester IUPAC Name: 3-[1-(3-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[1-(3-cyano-2,2-dimethyl-chromen-4-yl)-2-keto-4-pyridyl]propyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=CC=CC=C2O1)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C#N)C

Isomeric SMILES

CC1(C(=C(C2=CC=CC=C2O1)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C#N)C

InChI

InChI=1S/C21H22N2O5S/c1-21(2)17(14-22)20(16-8-4-5-9-18(16)28-21)23-11-10-15(13-19(23)24)7-6-12-27-29(3,25)26/h4-5,8-11,13H,6-7,12H2,1-3H3