[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C19H21BrO6S MolecularWeight: 457.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C19H21BrO6S/c1-4-23-14-9-12(10-15(24-5-2)18(14)25-6-3)19(22)26-11-13(21)16-7-8-17(20)27-16/h7-10H,4-6,11H2,1-3H3