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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C20H18BrNO3S MolecularWeight: 432.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18BrNO3S/c1-13-10-16(21)8-9-18(13)26-12-19(23)24-11-17-14(2)25-20(22-17)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3