3-[4-(cyanoamino)phenyl]sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[4-(cyanoamino)phenyl]sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[4-(cyanoamino)phenyl]sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[4-(cyanoamino)phenyl]thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[4-(cyanoamino)phenyl]sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[4-(cyanoamino)phenyl]thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H17N4O4S2- MolecularWeight: 465.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=CC=C(C=C4)NC#N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=CC=C(C=C4)NC#N

InChI

InChI=1S/C22H18N4O4S2/c23-12-24-14-6-8-15(9-7-14)32-16-11-31-21-18(20(28)26(21)19(16)22(29)30)25-17(27)10-13-4-2-1-3-5-13/h1-9,18,21,24H,10-11H2,(H,25,27)(H,29,30)/p-1