ethyl 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C18H19N5O6S MolecularWeight: 433.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)SC)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)SC)C#N

InChI

InChI=1S/C18H19N5O6S/c1-4-27-12-6-11(9-19)7-13(8-12)29-17-15(23(25)26)16(21-18(22-17)30-3)20-10-14(24)28-5-2/h6-8H,4-5,10H2,1-3H3,(H,20,21,22)