4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylsulfonylethylsulfanyl)pyrimidine

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylsulfonylethylsulfanyl)pyrimidine Openeye Name: 4-(2,3-dihydrobenzofuran-5-yl)-2-(2-methylsulfonylethylsulfanyl)pyrimidine CAS Name: 4-(2,3-dihydrobenzofuran-5-yl)-2-(2-methylsulfonylethylthio)pyrimidine IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylsulfonylethylsulfanyl)pyrimidine Traditional Name: 4-coumaran-5-yl-2-(2-mesylethylthio)pyrimidine Formula: C15H16N2O3S2 MolecularWeight: 336.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCSC1=NC=CC(=N1)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CS(=O)(=O)CCSC1=NC=CC(=N1)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C15H16N2O3S2/c1-22(18,19)9-8-21-15-16-6-4-13(17-15)11-2-3-14-12(10-11)5-7-20-14/h2-4,6,10H,5,7-9H2,1H3