(5-phenyl-1,2-oxazol-3-yl)methyl 2-pyridin-4-ylsulfanylethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-pyridin-4-ylsulfanylethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(4-pyridylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylthio)acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-pyridin-4-ylsulfanylacetate Traditional Name: 2-(4-pyridylthio)acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C17H14N2O3S/c20-17(12-23-15-6-8-18-9-7-15)21-11-14-10-16(22-19-14)13-4-2-1-3-5-13/h1-10H,11-12H2