ethyl 3-[3-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate Openeye Name: ethyl 3-[3-[6-(2-ethoxy-2-oxo-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[3-[[6-(2-ethoxy-2-oxoethoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[3-[6-(2-ethoxy-2-keto-ethoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]propionic acid ethyl ester Formula: C24H29N5O8S MolecularWeight: 547.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=C(C(=NC(=N3)SC)OCC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=C(C(=NC(=N3)SC)OCC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O8S/c1-4-34-18(30)8-7-15-11-16(21-25-9-6-10-26-21)13-17(12-15)37-23-20(29(32)33)22(27-24(28-23)38-3)36-14-19(31)35-5-2/h6,9,11-13,21,25-26H,4-5,7-8,10,14H2,1-3H3