2-[3-(4-bromanylphenoxy)propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(4-bromanylphenoxy)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[3-(4-bromophenoxy)propanoylamino]thiophene-3-carboxylic acid CAS Name: 2-[[3-(4-bromophenoxy)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(4-bromophenoxy)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-thenoic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCC(=O)NC2=C(C=CS2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCCC(=O)NC2=C(C=CS2)C(=O)O)Br

InChI

InChI=1S/C14H12BrNO4S/c15-9-1-3-10(4-2-9)20-7-5-12(17)16-13-11(14(18)19)6-8-21-13/h1-4,6,8H,5,7H2,(H,16,17)(H,18,19)