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

Systemtic Name: 3-bromanyl-7-[2-(2-carboxyphenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-bromo-7-[[2-(2-carboxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-bromo-7-[[2-(2-carboxyphenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-bromo-7-[[2-(2-carboxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-bromo-7-[[2-(2-carboxyphenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13BrN2O6S MolecularWeight: 441.25322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)O)C(=O)O)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)O)C(=O)O)Br

InChI

InChI=1S/C16H13BrN2O6S/c17-9-6-26-14-11(13(21)19(14)12(9)16(24)25)18-10(20)5-7-3-1-2-4-8(7)15(22)23/h1-4,11,14H,5-6H2,(H,18,20)(H,22,23)(H,24,25)