[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H11BrO3S2 MolecularWeight: 371.26934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H11BrO3S2/c1-19-10-4-2-9(3-5-10)14(17)18-8-11(16)12-6-7-13(15)20-12/h2-7H,8H2,1H3