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

Systemtic Name: 7-azanyl-3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-2H-1,2,3-triazol-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[5-(2-ethoxy-2-oxo-ethyl)-2H-triazol-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[5-(2-ethoxy-2-oxoethyl)-2H-triazol-4-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[5-(2-ethoxy-2-oxoethyl)-2H-triazol-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[[5-(2-ethoxy-2-keto-ethyl)-2H-triazol-4-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NNN=C1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=NNN=C1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C14H17N5O5S2/c1-2-24-8(20)3-7-11(17-18-16-7)25-4-6-5-26-13-9(15)12(21)19(13)10(6)14(22)23/h9,13H,2-5,15H2,1H3,(H,22,23)(H,16,17,18)