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

Systemtic Name: 2-[[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-(4-sulfanylphenyl)propanoic acid Openeye Name: 2-[[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-(4-sulfanylphenyl)propanoic acid CAS Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-3-(4-mercaptophenyl)propanoic acid IUPAC Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-3-(4-sulfanylphenyl)propanoic acid Traditional Name: 2-[[6-(3-carbethoxy-5-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-3-(4-mercaptophenyl)propionic acid Formula: C24H24N4O7S2 MolecularWeight: 544.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC3=CC=C(C=C3)S)C(=O)O)SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC3=CC=C(C=C3)S)C(=O)O)SC)C

InChI

InChI=1S/C24H24N4O7S2/c1-4-34-23(31)15-9-13(2)10-16(12-15)35-21-19(28(32)33)20(26-24(27-21)37-3)25-18(22(29)30)11-14-5-7-17(36)8-6-14/h5-10,12,18,36H,4,11H2,1-3H3,(H,29,30)(H,25,26,27)