(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H15BrO3S2 MolecularWeight: 399.3225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H15BrO3S2/c1-10-7-15(11(2)6-12(10)17)22-9-16(19)20-8-13(18)14-4-3-5-21-14/h3-7H,8-9H2,1-2H3