2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-hydroxy-butyric acid Formula: C13H11ClFNO4S MolecularWeight: 331.747143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)O

InChI

InChI=1S/C13H11ClFNO4S/c1-5(17)10(13(19)20)16-12(18)11-9(14)7-3-2-6(15)4-8(7)21-11/h2-5,10,17H,1H3,(H,16,18)(H,19,20)