(5-phenyl-1,3-oxazol-2-yl)methyl 2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate Openeye Name: (5-phenyloxazol-2-yl)methyl 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate CAS Name: 2-[(1,1-dioxo-3-thiolanyl)thio]benzoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate Traditional Name: 2-[(1,1-diketothiolan-3-yl)thio]benzoic acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1SC2=CC=CC=C2C(=O)OCC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1SC2=CC=CC=C2C(=O)OCC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO5S2/c23-21(26-13-20-22-12-18(27-20)15-6-2-1-3-7-15)17-8-4-5-9-19(17)28-16-10-11-29(24,25)14-16/h1-9,12,16H,10-11,13-14H2