ethyl (E)-3-[4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(2-pyridylthio)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C18H18N2O3S/c1-2-23-18(22)11-8-14-6-9-15(10-7-14)20-16(21)13-24-17-5-3-4-12-19-17/h3-12H,2,13H2,1H3,(H,20,21)/b11-8+