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

Systemtic Name: (2S,3S)-3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoate Openeye Name: (2S,3S)-3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)butanoate Traditional Name: (2S,3S)-3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butyrate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCC2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCC2)O

InChI

InChI=1S/C13H17NO4S/c1-7(15)11(13(17)18)14-12(16)10-6-8-4-2-3-5-9(8)19-10/h6-7,11,15H,2-5H2,1H3,(H,14,16)(H,17,18)/p-1/t7-,11-/m0/s1