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

Systemtic Name: 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]propanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoic acid Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-7(12(15)16)13-11(14)10-6-8-4-2-3-5-9(8)17-10/h2-5,7,10H,6H2,1H3,(H,13,14)(H,15,16)