methyl 2-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C16H15ClN2O5S/c1-22-14(21)5-12-4-13(20)19-16(18-12)25-7-10-3-11(17)2-9-6-23-8-24-15(9)10/h2-4H,5-8H2,1H3,(H,18,19,20)