2-[3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[2-[[(E)-3-(3-pyridyl)prop-2-enethioyl]amino]ethyl]phenoxy]acetic acid CAS Name: 2-[3-[2-[[(E)-3-(3-pyridinyl)-1-sulfanylideneprop-2-enyl]amino]ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenoxy]acetic acid Traditional Name: 2-[3-[2-[[(E)-3-(3-pyridyl)thioacryloyl]amino]ethyl]phenoxy]acetic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CCNC(=S)C=CC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CCNC(=S)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O3S/c21-18(22)13-23-16-5-1-3-14(11-16)8-10-20-17(24)7-6-15-4-2-9-19-12-15/h1-7,9,11-12H,8,10,13H2,(H,20,24)(H,21,22)/b7-6+