4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)-methyl-amino]butyric acid Formula: C14H13ClFNO3S MolecularWeight: 329.774323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

InChI

InChI=1S/C14H13ClFNO3S/c1-17(6-2-3-11(18)19)14(20)13-12(15)9-5-4-8(16)7-10(9)21-13/h4-5,7H,2-3,6H2,1H3,(H,18,19)