6-[(2-bromanyl-3-ethoxy-3-oxidanylidene-propanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(2-bromanyl-3-ethoxy-3-oxidanylidene-propanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-bromo-3-ethoxy-3-oxo-propanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-bromo-3-ethoxy-1,3-dioxopropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-bromo-3-ethoxy-3-oxopropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-bromo-3-ethoxy-3-keto-propanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H17BrN2O6S MolecularWeight: 409.25288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)Br

InChI

InChI=1S/C13H17BrN2O6S/c1-4-22-12(21)5(14)8(17)15-6-9(18)16-7(11(19)20)13(2,3)23-10(6)16/h5-7,10H,4H2,1-3H3,(H,15,17)(H,19,20)