[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H8BrNO3S MolecularWeight: 350.18722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)C#N

InChI

InChI=1S/C14H8BrNO3S/c15-13-5-4-12(20-13)11(17)8-19-14(18)10-3-1-2-9(6-10)7-16/h1-6H,8H2