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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]butyric acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-7(6-10(16)17)15-13(18)12-11(14)8-4-2-3-5-9(8)19-12/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)