ethyl 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-benzoate

Systemtic Name: ethyl 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-benzoate Openeye Name: ethyl 3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-benzoate CAS Name: 3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-methylbenzoate Traditional Name: 3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoic acid ethyl ester Formula: C15H14ClN3O5S MolecularWeight: 383.80676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C15H14ClN3O5S/c1-4-23-14(20)9-5-8(2)6-10(7-9)24-13-11(19(21)22)12(16)17-15(18-13)25-3/h5-7H,4H2,1-3H3