2-pyridin-3-ylethyl (2S,5S)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: 2-pyridin-3-ylethyl (2S,5S)-7-oxidanylidene-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Openeye Name: 2-(3-pyridyl)ethyl (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid 2-(3-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-3-ylethyl (2S,5S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5S)-7-keto-6-sulfoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid 2-(3-pyridyl)ethyl ester Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)OCCC3=CN=CC=C3

Isomeric SMILES

C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)O)C(=O)OCCC3=CN=CC=C3

InChI

InChI=1S/C14H17N3O7S/c18-13(23-7-5-10-2-1-6-15-8-10)12-4-3-11-9-16(12)14(19)17(11)24-25(20,21)22/h1-2,6,8,11-12H,3-5,7,9H2,(H,20,21,22)/t11-,12-/m0/s1