methyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O6S/c1-23-16(22)8-11-7-15(21)19-17(18-11)26-9-12(20)10-2-3-13-14(6-10)25-5-4-24-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19,21)