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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[(pyridin-4-ylmethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[(4-pyridylmethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[(pyridin-4-ylmethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[(pyridin-4-ylmethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(4-pyridylmethylamino)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)CNCC3=CC=NC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)CNCC3=CC=NC=C3)C(=O)O)C

InChI

InChI=1S/C15H19N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)8-17-7-9-3-5-16-6-4-9/h3-6,10-11,13,17H,7-8H2,1-2H3,(H,20,21)