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

Systemtic Name: 7-(2-cyanopropanoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(2-cyanopropanoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxopropyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(2-cyanopropanoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(2-cyanopropanoylamino)-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-5(3-13)9(16)14-7-10(17)15-8(12(18)19)6(20-2)4-21-11(7)15/h5,7,11H,4H2,1-2H3,(H,14,16)(H,18,19)