3-[[4-chloranyl-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)phenoxy]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)phenoxy]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-[[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenoxy]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-[[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenoxy]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-[[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenoxy]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-[[4-chloro-2-(6-chloro-4-keto-1H-quinazolin-2-yl)phenoxy]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C28H20Cl2N4O6S2 MolecularWeight: 643.5176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)COC4=C(C=C(C=C4)Cl)C5=NC(=O)C6=C(N5)C=CC(=C6)Cl)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)COC4=C(C=C(C=C4)Cl)C5=NC(=O)C6=C(N5)C=CC(=C6)Cl)C(=O)O

InChI

InChI=1S/C28H20Cl2N4O6S2/c29-14-3-5-19-17(8-14)25(36)33-24(31-19)18-9-15(30)4-6-20(18)40-11-13-12-42-27-22(26(37)34(27)23(13)28(38)39)32-21(35)10-16-2-1-7-41-16/h1-9,12,22-23,27H,10-11H2,(H,32,35)(H,38,39)(H,31,33,36)