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

Systemtic Name: 4-[2-[(5-bromanylthiophen-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(5-bromothiophene-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-bromothiophene-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(5-bromothiophene-2-carbonyl)amino]ethyl]benzoic acid Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C14H12BrNO3S/c15-12-6-5-11(20-12)13(17)16-8-7-9-1-3-10(4-2-9)14(18)19/h1-6H,7-8H2,(H,16,17)(H,18,19)