3-bromanyl-7-[2-(cyanomethylsulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-bromanyl-7-[2-(cyanomethylsulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-bromo-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-bromo-7-[[2-(cyanomethylthio)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-bromo-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-bromo-7-[[2-(cyanomethylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H10BrN3O4S2 MolecularWeight: 392.2488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSCC#N)C(=O)O)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSCC#N)C(=O)O)Br

InChI

InChI=1S/C11H10BrN3O4S2/c12-5-3-21-10-7(14-6(16)4-20-2-1-13)9(17)15(10)8(5)11(18)19/h7,10H,2-4H2,(H,14,16)(H,18,19)