2-(4-oxidanidyl-6-phenyl-5-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-oxidanidyl-6-phenyl-5-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(5-allyl-4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxido-6-phenyl-5-prop-2-enyl-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4-oxido-6-phenyl-5-prop-2-enylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-allyl-4-oxido-6-phenyl-pyrimidin-2-yl)thio]acetate Formula: C15H12N2O3S-2 MolecularWeight: 300.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C(N=C1[O-])SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C=CCC1=C(N=C(N=C1[O-])SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H14N2O3S/c1-2-6-11-13(10-7-4-3-5-8-10)16-15(17-14(11)20)21-9-12(18)19/h2-5,7-8H,1,6,9H2,(H,18,19)(H,16,17,20)/p-2