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

Systemtic Name: 7-(2-cyanoethanoylamino)-3-ethyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyanoacetyl)amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyanoacetyl)amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanoacetyl)amino]-3-ethyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O

Isomeric SMILES

CCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-2-6-5-20-11-8(14-7(16)3-4-13)10(17)15(11)9(6)12(18)19/h8,11H,2-3,5H2,1H3,(H,14,16)(H,18,19)