(2S)-3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (2S)-3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate Openeye Name: (2S)-3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propionate Formula: C12H14NO4S- MolecularWeight: 268.30886

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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)N[C@@H](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)/p-1/t8-/m0/s1