7-[2-(2-aminophenyl)ethanoylamino]-3-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-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-[[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-(2-amino-2-oxo-ethyl)tetrazol-5-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-[[[1-(2-amino-2-oxoethyl)-5-tetrazolyl]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-[[1-(2-amino-2-oxoethyl)tetrazol-5-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-[[[1-(2-amino-2-keto-ethyl)tetrazol-5-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: C19H20N8O5S2 MolecularWeight: 504.5427

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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=NN4CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O)CSC4=NN=NN4CC(=O)N

InChI

InChI=1S/C19H20N8O5S2/c20-11-4-2-1-3-9(11)5-13(29)22-14-16(30)27-15(18(31)32)10(7-33-17(14)27)8-34-19-23-24-25-26(19)6-12(21)28/h1-4,14,17H,5-8,20H2,(H2,21,28)(H,22,29)(H,31,32)