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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(2-pyridin-4-ylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-[[2-(4-pyridyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-[(2-pyridin-4-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[[2-(4-pyridyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=NC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=NC=C3)C(=O)O)C

InChI

InChI=1S/C15H17N3O4S/c1-15(2)11(14(21)22)18-12(20)10(13(18)23-15)17-9(19)7-8-3-5-16-6-4-8/h3-6,10-11,13H,7H2,1-2H3,(H,17,19)(H,21,22)