3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propanoic acid CAS Name: 3-hydroxy-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoic acid Traditional Name: 3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO4S/c14-6-8(12(16)17)13-11(15)10-5-7-3-1-2-4-9(7)18-10/h5,8,14H,1-4,6H2,(H,13,15)(H,16,17)