(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C15H13BrO3S2 MolecularWeight: 385.29592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C15H13BrO3S2/c1-10-7-11(16)4-5-13(10)21-9-15(18)19-8-12(17)14-3-2-6-20-14/h2-7H,8-9H2,1H3