3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate

Systemtic Name: 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate Openeye Name: 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxo-4-pyridyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]propyl ester IUPAC Name: 3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-keto-4-pyridyl]propyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C

InChI

InChI=1S/C21H22N2O5S/c1-21(2)13-18(17-11-16(14-22)6-7-19(17)28-21)23-9-8-15(12-20(23)24)5-4-10-27-29(3,25)26/h6-9,11-13H,4-5,10H2,1-3H3