[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(pyridin-3-ylmethoxy)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(pyridin-3-ylmethoxy)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(3-pyridylmethoxy)benzoate CAS Name: 4-(3-pyridinylmethoxy)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(pyridin-3-ylmethoxy)benzoate Traditional Name: 4-(3-pyridylmethoxy)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C19H14BrNO4S MolecularWeight: 432.28776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC(=CN=C1)COC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H14BrNO4S/c20-18-8-7-17(26-18)16(22)12-25-19(23)14-3-5-15(6-4-14)24-11-13-2-1-9-21-10-13/h1-10H,11-12H2