7-(2,2-dimethylpropanoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2,2-dimethylpropanoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(2,2-dimethylpropanoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2,2-dimethyl-1-oxopropyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(2,2-dimethylpropanoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methoxy-7-(pivaloylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1C2N(C1=O)C(=C(CS2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1C2N(C1=O)C(=C(CS2)OC)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-13(2,3)12(19)14-7-9(16)15-8(11(17)18)6(20-4)5-21-10(7)15/h7,10H,5H2,1-4H3,(H,14,19)(H,17,18)