5-ethoxycarbonyl-4-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrimidin-2-olate

Systemtic Name: 5-ethoxycarbonyl-4-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrimidin-2-olate Openeye Name: 5-ethoxycarbonyl-4-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrimidin-2-olate CAS Name: 5-ethoxycarbonyl-4-methyl-6-[(3-nitrophenyl)methylthio]-2-pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-4-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrimidin-2-olate Traditional Name: 5-carbethoxy-4-methyl-6-[(3-nitrobenzyl)thio]pyrimidin-2-olate Formula: C15H14N3O5S- MolecularWeight: 348.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=CC(=CC=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=CC(=CC=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C15H15N3O5S/c1-3-23-14(19)12-9(2)16-15(20)17-13(12)24-8-10-5-4-6-11(7-10)18(21)22/h4-7H,3,8H2,1-2H3,(H,16,17,20)/p-1