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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-phenylthiazol-4-yl)methyl ester Formula: C19H16BrNO2S2 MolecularWeight: 434.36984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrNO2S2/c1-13-9-15(20)7-8-17(13)24-12-18(22)23-10-16-11-25-19(21-16)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3