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

Systemtic Name: 3-[(5-aminocarbonyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-[2-(2-aminophenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminophenyl)acetyl]amino]-3-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-3-[[(5-carbamoyl-1,3,4-oxadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-aminophenyl)acetyl]amino]-3-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-3-[[(5-carbamoyl-1,3,4-oxadiazol-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N6O6S2 MolecularWeight: 490.51282

Click to see the large picture

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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O6S2/c20-10-4-2-1-3-8(10)5-11(26)22-12-16(28)25-13(18(29)30)9(6-32-17(12)25)7-33-19-24-23-15(31-19)14(21)27/h1-4,12,17H,5-7,20H2,(H2,21,27)(H,22,26)(H,29,30)