4-(aminomethyloxy)-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: 4-(aminomethyloxy)-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: 4-(aminomethoxy)-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: 4-(aminomethoxy)-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: 4-(aminomethoxy)-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: 4-(aminomethoxy)-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: C30H27N5O4S3 MolecularWeight: 617.76148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)OCN)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)OCN)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6)C(=O)O

InChI

InChI=1S/C30H27N5O4S3/c31-18-39-28-26(25(27(37)38)35-23(36)16-24(35)41-28)42-29(40-22-17-32-34-33-22)30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17,24,28-29H,16,18,31H2,(H,37,38)(H,32,33,34)