3-[4-(5-bromanylthiophen-2-yl)butanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)butanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]thiophene-2-carboxylic acid CAS Name: 3-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-(5-bromothiophen-2-yl)butanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]-2-thenoic acid Formula: C13H12BrNO3S2 MolecularWeight: 374.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CSC(=C1NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H12BrNO3S2/c14-10-5-4-8(20-10)2-1-3-11(16)15-9-6-7-19-12(9)13(17)18/h4-7H,1-3H2,(H,15,16)(H,17,18)