2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfanylphenyl)propanoic acid

Systemtic Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfanylphenyl)propanoic acid Openeye Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfanylphenyl)propanoic acid CAS Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-(4-mercaptophenyl)propanoic acid IUPAC Name: 2-[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-(4-sulfanylphenyl)propanoic acid Traditional Name: 2-[6-(3-carbethoxy-5-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-(4-mercaptophenyl)propionic acid Formula: C24H23N3O8S2 MolecularWeight: 545.58472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CC3=CC=C(C=C3)S)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CC3=CC=C(C=C3)S)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C24H23N3O8S2/c1-4-33-23(30)15-9-13(2)10-16(12-15)34-20-19(27(31)32)21(26-24(25-20)37-3)35-18(22(28)29)11-14-5-7-17(36)8-6-14/h5-10,12,18,36H,4,11H2,1-3H3,(H,28,29)