(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=C(ON=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=C(ON=C2C)C

InChI

InChI=1S/C16H18BrNO3S/c1-9-6-15(10(2)5-14(9)17)22-8-16(19)20-7-13-11(3)18-21-12(13)4/h5-6H,7-8H2,1-4H3