(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C20H20N2O4S/c1-11-5-6-16-15(8-17(23)26-19(16)14(11)4)9-25-18(24)10-27-20-21-12(2)7-13(3)22-20/h5-8H,9-10H2,1-4H3