3-chloranyl-7-(2-methyl-5-oxidanylidene-4-phenyl-2-thiophen-2-yl-imidazolidin-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-chloranyl-7-(2-methyl-5-oxidanylidene-4-phenyl-2-thiophen-2-yl-imidazolidin-1-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-7-[2-methyl-5-oxo-4-phenyl-2-(2-thienyl)imidazolidin-1-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-7-(2-methyl-5-oxo-4-phenyl-2-thiophen-2-yl-1-imidazolidinyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-7-(2-methyl-5-oxo-4-phenyl-2-thiophen-2-ylimidazolidin-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-chloro-8-keto-7-[5-keto-2-methyl-4-phenyl-2-(2-thienyl)imidazolidin-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(C(=O)N1C2C3N(C2=O)C(=C(CS3)Cl)C(=O)O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1(NC(C(=O)N1C2C3N(C2=O)C(=C(CS3)Cl)C(=O)O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H18ClN3O4S2/c1-21(13-8-5-9-30-13)23-14(11-6-3-2-4-7-11)17(26)25(21)16-18(27)24-15(20(28)29)12(22)10-31-19(16)24/h2-9,14,16,19,23H,10H2,1H3,(H,28,29)