methyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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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)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-24-17(23)9-12-8-16(22)20-18(19-12)27-10-13(21)11-3-4-14-15(7-11)26-6-2-5-25-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,19,20,22)