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

Systemtic Name: 3-chloranyl-7-(2-cyanoethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-7-[(2-cyano-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-chloro-7-[(2-cyanoacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H8ClN3O4S MolecularWeight: 301.70622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O)Cl

InChI

InChI=1S/C10H8ClN3O4S/c11-4-3-19-9-6(13-5(15)1-2-12)8(16)14(9)7(4)10(17)18/h6,9H,1,3H2,(H,13,15)(H,17,18)