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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

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