7-(2-cyanoethanoylamino)-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-cyanoethanoylamino)-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyanoacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyanoacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanoacetyl)amino]-8-keto-4-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)O

InChI

InChI=1S/C11H11N3O4S/c1-5-4-6(11(17)18)14-9(16)8(10(14)19-5)13-7(15)2-3-12/h4-5,8,10H,2H2,1H3,(H,13,15)(H,17,18)