3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-[(2-chloro-6-fluoro-benzoyl)amino]propanoic acid CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-[(2-chloro-6-fluorobenzoyl)amino]propanoic acid Traditional Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-[(2-chloro-6-fluoro-benzoyl)amino]propionic acid Formula: C15H11BrClFN2O4S MolecularWeight: 449.679243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O)F

InChI

InChI=1S/C15H11BrClFN2O4S/c16-11-5-4-10(25-11)13(21)19-6-9(15(23)24)20-14(22)12-7(17)2-1-3-8(12)18/h1-5,9H,6H2,(H,19,21)(H,20,22)(H,23,24)