(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C

InChI

InChI=1S/C22H24N2O4S/c1-12(2)17-9-18-16(8-20(25)28-19(18)6-13(17)3)10-27-21(26)11-29-22-23-14(4)7-15(5)24-22/h6-9,12H,10-11H2,1-5H3