2-[2-methoxy-4-[(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[(E)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acryloyl]phenoxy]acetic acid Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C22H17N3O7S/c1-31-19-12-15(5-7-18(19)32-13-21(27)28)17(26)6-3-14-4-8-20(16(11-14)25(29)30)33-22-23-9-2-10-24-22/h2-12H,13H2,1H3,(H,27,28)/b6-3+