[3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenyl] ethanoate

Systemtic Name: [3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenyl] ethanoate Openeye Name: [3-[2-[[(E)-3-(3-pyridyl)prop-2-enethioyl]amino]ethyl]phenyl] acetate CAS Name: acetic acid [3-[2-[[(E)-3-(3-pyridinyl)-1-sulfanylideneprop-2-enyl]amino]ethyl]phenyl] ester IUPAC Name: [3-[2-[[(E)-3-pyridin-3-ylprop-2-enethioyl]amino]ethyl]phenyl] acetate Traditional Name: acetic acid [3-[2-[[(E)-3-(3-pyridyl)thioacryloyl]amino]ethyl]phenyl] ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)CCNC(=S)C=CC2=CN=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)CCNC(=S)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O2S/c1-14(21)22-17-6-2-4-15(12-17)9-11-20-18(23)8-7-16-5-3-10-19-13-16/h2-8,10,12-13H,9,11H2,1H3,(H,20,23)/b8-7+