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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H17BrO4S/c1-2-3-10-21-13-6-4-12(5-7-13)17(20)22-11-14(19)15-8-9-16(18)23-15/h4-9H,2-3,10-11H2,1H3