(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H18N2O4S/c1-13-9-14(2)24-22(23-13)29-12-20(26)27-11-16-10-19(25)28-18-8-7-15-5-3-4-6-17(15)21(16)18/h3-10H,11-12H2,1-2H3