2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)butanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)butanoic acid Openeye Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)butanoic acid CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]butanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)butanoic acid Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)butyric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2S1

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO3S/c1-2-9(13(16)17)14-12(15)11-7-8-5-3-4-6-10(8)18-11/h3-6,9,11H,2,7H2,1H3,(H,14,15)(H,16,17)