7-[2-[2-(azidomethyl)phenyl]ethanoylamino]-3-[[1-(carboxymethyl)-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-(azidomethyl)phenyl]ethanoylamino]-3-[[1-(carboxymethyl)-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: 7-[[2-[2-(azidomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[2-(azidomethyl)phenyl]-1-oxoethyl]amino]-3-[[[1-(carboxymethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[2-(azidomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[2-(azidomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N9O6S2 MolecularWeight: 545.55156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN=[N+]=[N-])C(=O)O)CSC4=NN=NN4CC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN=[N+]=[N-])C(=O)O)CSC4=NN=NN4CC(=O)O

InChI

InChI=1S/C20H19N9O6S2/c21-25-22-6-11-4-2-1-3-10(11)5-13(30)23-15-17(33)29-16(19(34)35)12(8-36-18(15)29)9-37-20-24-26-27-28(20)7-14(31)32/h1-4,15,18H,5-9H2,(H,23,30)(H,31,32)(H,34,35)