7-azanyl-3-[[5-(4-ethoxy-4-oxidanylidene-butyl)-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-(4-ethoxy-4-oxidanylidene-butyl)-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-(4-ethoxy-4-oxo-butyl)-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-(4-ethoxy-4-oxobutyl)-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-(4-ethoxy-4-oxobutyl)-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-(4-ethoxy-4-keto-butyl)-2H-triazol-4-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=NNN=C1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CCOC(=O)CCCC1=NNN=C1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C16H21N5O5S2/c1-2-26-10(22)5-3-4-9-13(19-20-18-9)27-6-8-7-28-15-11(17)14(23)21(15)12(8)16(24)25/h11,15H,2-7,17H2,1H3,(H,24,25)(H,18,19,20)