2-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 2-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-(2-pyridinyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 2-(hydroxymethyl)-3,3-dimethyl-7-oxo-6-pyridin-2-yl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-2-methylol-6-(2-pyridyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C3=CC=CC=N3)(CO)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C3=CC=CC=N3)(CO)C(=O)O)C

InChI

InChI=1S/C14H16N2O4S/c1-13(2)14(7-17,12(19)20)16-10(18)9(11(16)21-13)8-5-3-4-6-15-8/h3-6,9,11,17H,7H2,1-2H3,(H,19,20)