(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C15H13BrO4S/c16-10-5-6-12(17)11(9-10)15(19)20-7-1-3-13(18)14-4-2-8-21-14/h2,4-6,8-9,17H,1,3,7H2