2-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoic acid

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]benzoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]benzoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]benzoic acid Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCC2=CC=C(S2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCC2=CC=C(S2)Br

InChI

InChI=1S/C15H14BrNO3S/c16-13-9-8-10(21-13)4-3-7-14(18)17-12-6-2-1-5-11(12)15(19)20/h1-2,5-6,8-9H,3-4,7H2,(H,17,18)(H,19,20)