(2-phenyl-1,3-oxazol-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (2-phenyloxazol-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-phenyloxazol-4-yl)methyl ester Formula: C22H16N2O3S MolecularWeight: 388.43904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CO2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CO2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O3S/c25-22(19-12-7-13-23-21(19)28-18-10-5-2-6-11-18)27-15-17-14-26-20(24-17)16-8-3-1-4-9-16/h1-14H,15H2