methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H17ClN2O5S/c1-23-15(22)8-11-7-14(21)20-17(19-11)26-9-10-5-12(18)16-13(6-10)24-3-2-4-25-16/h5-7H,2-4,8-9H2,1H3,(H,19,20,21)