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

Systemtic Name: 7-[2-(2-aminophenyl)ethanoylamino]-8-oxidanylidene-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S/c24-16-9-5-4-8-14(16)11-18(28)25-19-21(29)26-20(23(30)31)15(12-32-22(19)26)10-17(27)13-6-2-1-3-7-13/h1-9,19,22H,10-12,24H2,(H,25,28)(H,30,31)