(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO4S2/c23-20(14-24-18-9-5-4-8-17(18)21-27-10-11-28-21)25-13-16-12-19(26-22-16)15-6-2-1-3-7-15/h1-9,12,21H,10-11,13-14H2