7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-oxo-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-8-oxo-3-[oxo-(phenylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-8-oxo-3-phenylsulfanylcarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-(phenylthio)carbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C(=O)SC4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C(=O)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5S2/c23-15(12-7-3-1-4-8-12)18(26)24-16-19(27)25-17(21(28)29)14(11-31-20(16)25)22(30)32-13-9-5-2-6-10-13/h1-10,15-16,20H,11,23H2,(H,24,26)(H,28,29)