(5-phenyl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17NO3S2/c22-19(15-6-8-16(9-7-15)20-25-10-11-26-20)23-13-17-12-18(24-21-17)14-4-2-1-3-5-14/h1-9,12,20H,10-11,13H2