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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C16H17NO3S2/c1-10-14(11(2)20-17-10)9-19-15(18)12-3-5-13(6-4-12)16-21-7-8-22-16/h3-6,16H,7-9H2,1-2H3