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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[2,2,2-triphenyl-1-(2H-1,2,3-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[2,2,2-triphenyl-1-(2H-triazol-4-ylthio)ethyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[2,2,2-triphenyl-1-(2H-triazol-4-ylthio)ethyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H25N5O3S3 MolecularWeight: 587.7355

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6

InChI

InChI=1S/C29H25N5O3S3/c30-23-25(35)34-24(27(36)37)21(17-38-26(23)34)39-28(40-22-16-31-33-32-22)29(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,23,26,28H,17,30H2,(H,36,37)(H,31,32,33)