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

Systemtic Name: 4-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]butyl methanesulfonate Openeye Name: 4-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxo-4-pyridyl]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]butyl ester IUPAC Name: 4-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-keto-4-pyridyl]butyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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)CCCCOS(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-22(2)14-19(18-12-17(15-23)7-8-20(18)29-22)24-10-9-16(13-21(24)25)6-4-5-11-28-30(3,26)27/h7-10,12-14H,4-6,11H2,1-3H3