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

Systemtic Name: 3-ethylsulfonyloxy-8-oxidanylidene-7-[2-(2-sulfophenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-ethylsulfonyloxy-8-oxo-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethylsulfonyloxy-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-ethylsulfonyloxy-8-oxo-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-esyloxy-8-keto-7-[[2-(2-sulfophenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O10S3 MolecularWeight: 506.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3S(=O)(=O)O)SC1)C(=O)O

Isomeric SMILES

CCS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3S(=O)(=O)O)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O10S3/c1-2-31(24,25)29-10-8-30-16-13(15(21)19(16)14(10)17(22)23)18-12(20)7-9-5-3-4-6-11(9)32(26,27)28/h3-6,13,16H,2,7-8H2,1H3,(H,18,20)(H,22,23)(H,26,27,28)