(4-nitrophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (4-nitrobenzyl) ester Formula: C15H15N3O4S MolecularWeight: 333.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O4S/c1-10-7-11(2)17-15(16-10)23-9-14(19)22-8-12-3-5-13(6-4-12)18(20)21/h3-7H,8-9H2,1-2H3