methyl 4-methylbenzenesulfonate; 5-phenyl-2-pyridin-4-yl-1,3-oxazole

Systemtic Name: methyl 4-methylbenzenesulfonate; 5-phenyl-2-pyridin-4-yl-1,3-oxazole Openeye Name: methyl 4-methylbenzenesulfonate; 5-phenyl-2-(4-pyridyl)oxazole CAS Name: 4-methylbenzenesulfonic acid methyl ester; 5-phenyl-2-pyridin-4-yloxazole IUPAC Name: methyl 4-methylbenzenesulfonate; 5-phenyl-2-pyridin-4-yl-1,3-oxazole Traditional Name: 4-methylbenzenesulfonic acid methyl ester; 5-phenyl-2-(4-pyridyl)oxazole Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2O.C8H10O3S/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-7-3-5-8(6-4-7)12(9,10)11-2/h1-10H;3-6H,1-2H3