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

Systemtic Name: 3-methanoyl-8-oxidanylidene-7-[2-(2-sulfophenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-formyl-8-oxo-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-formyl-8-oxo-7-[[1-oxo-2-(2-sulfophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-formyl-8-oxo-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-formyl-8-keto-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N2O8S2 MolecularWeight: 426.42096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3S(=O)(=O)O)C(=O)O)C=O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3S(=O)(=O)O)C(=O)O)C=O

InChI

InChI=1S/C16H14N2O8S2/c19-6-9-7-27-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-8-3-1-2-4-10(8)28(24,25)26/h1-4,6,12,15H,5,7H2,(H,17,20)(H,22,23)(H,24,25,26)