(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N=C(N=C3C)SC)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N=C(N=C3C)SC)C)C

InChI

InChI=1S/C22H24N2O4S/c1-12-8-18-16(10-21(26)28-19(18)9-13(12)2)11-27-20(25)7-6-17-14(3)23-22(29-5)24-15(17)4/h8-10H,6-7,11H2,1-5H3