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

Systemtic Name: 6-[(6-acetamidopyridin-3-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(6-acetamidopyridine-3-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[(6-acetamido-3-pyridinyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(6-acetamidopyridine-3-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(6-acetamidonicotinoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O

InChI

InChI=1S/C16H18N4O5S/c1-7(21)18-9-5-4-8(6-17-9)12(22)19-10-13(23)20-11(15(24)25)16(2,3)26-14(10)20/h4-6,10-11,14H,1-3H3,(H,19,22)(H,24,25)(H,17,18,21)