2-[2-methoxy-4-[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]phenoxy]acetic acid Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C25H20N2O5S/c1-31-22-14-17(10-12-21(22)32-16-24(29)30)20(28)11-9-18-15-27(19-6-3-2-4-7-19)26-25(18)23-8-5-13-33-23/h2-15H,16H2,1H3,(H,29,30)/b11-9+