methyl 2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[4-(methylthio)phenyl]methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[4-(methylthio)benzyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H16N2O3S2/c1-20-14(19)8-11-7-13(18)17-15(16-11)22-9-10-3-5-12(21-2)6-4-10/h3-7H,8-9H2,1-2H3,(H,16,17,18)