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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3S2/c1-10-8-13(16-19-10)9-18-14(17)11-2-4-12(5-3-11)15-20-6-7-21-15/h2-5,8,15H,6-7,9H2,1H3