methyl 2-(4-oxidanylidene-2-phenethylsulfanyl-1H-pyrimidin-6-yl)ethanoate

Systemtic Name: methyl 2-(4-oxidanylidene-2-phenethylsulfanyl-1H-pyrimidin-6-yl)ethanoate Openeye Name: methyl 2-(4-oxo-2-phenethylsulfanyl-1H-pyrimidin-6-yl)acetate CAS Name: 2-[4-oxo-2-(phenethylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-(4-oxo-2-phenethylsulfanyl-1H-pyrimidin-6-yl)acetate Traditional Name: 2-[4-keto-2-(phenethylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-20-14(19)10-12-9-13(18)17-15(16-12)21-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,16,17,18)