ethyl 3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate

Systemtic Name: ethyl 3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate Openeye Name: ethyl 3-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate CAS Name: 3-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-methylbenzoate Traditional Name: 3-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoic acid ethyl ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O7S/c1-5-28-14(24)10-20-16-15(23(26)27)17(22-19(21-16)31-4)30-13-8-11(3)7-12(9-13)18(25)29-6-2/h7-9H,5-6,10H2,1-4H3,(H,20,21,22)