7-[2-(2-aminophenyl)ethanoylamino]-3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-(2-aminophenyl)ethanoylamino]-3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(2-amino-2-oxo-ethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[5-(2-amino-2-keto-ethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N6O6S2 MolecularWeight: 504.5394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CSC4=NN=C(O4)CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CSC4=NN=C(O4)CC(=O)N

InChI

InChI=1S/C20H20N6O6S2/c21-11-4-2-1-3-9(11)5-13(28)23-15-17(29)26-16(19(30)31)10(7-33-18(15)26)8-34-20-25-24-14(32-20)6-12(22)27/h1-4,15,18H,5-8,21H2,(H2,22,27)(H,23,28)(H,30,31)