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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-methoxy-chromen-4-yl)methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

InChI

InChI=1S/C19H18N2O5S/c1-11-6-12(2)21-19(20-11)27-10-18(23)25-9-13-7-17(22)26-16-8-14(24-3)4-5-15(13)16/h4-8H,9-10H2,1-3H3