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

Systemtic Name: 3-bromanyl-7-[2-(furan-2-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-bromo-7-[[2-(2-furyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-bromo-7-[[2-(2-furanyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-bromo-7-[[2-(furan-2-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-bromo-7-[[2-(2-furyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CO3)C(=O)O)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CO3)C(=O)O)Br

InChI

InChI=1S/C13H11BrN2O5S/c14-7-5-22-12-9(11(18)16(12)10(7)13(19)20)15-8(17)4-6-2-1-3-21-6/h1-3,9,12H,4-5H2,(H,15,17)(H,19,20)