2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid

Systemtic Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid Openeye Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid CAS Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]-3-(4-sulfonyl-1-cyclohexa-1,5-dienyl)propanoic acid IUPAC Name: 2-[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid Traditional Name: 2-[6-(3-carbethoxy-5-methyl-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propionic acid Formula: C24H23N3O12S2 MolecularWeight: 609.58232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O12S2/c1-4-37-23(30)15-9-13(2)10-16(12-15)38-20-19(27(31)32)21(26-24(25-20)41(3,35)36)39-18(22(28)29)11-14-5-7-17(8-6-14)40(33)34/h5-7,9-10,12,18H,4,8,11H2,1-3H3,(H,28,29)