(2S)-3-oxidanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (2S)-3-oxidanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)propanoate Openeye Name: (2S)-3-hydroxy-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-hydroxy-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)propionate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)N[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c15-7-9(13(17)18)14-12(16)11-6-8-4-2-1-3-5-10(8)19-11/h6,9,15H,1-5,7H2,(H,14,16)(H,17,18)/p-1/t9-/m0/s1