7-azanyl-7-methoxy-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-7-methoxy-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-7-methoxy-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-7-methoxy-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-7-methoxy-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-7-methoxy-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:

COC1(C2N(C1=O)C(=C(CS2)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6)C(=O)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)SC(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NNN=C6)C(=O)O)N

InChI

InChI=1S/C30H27N5O4S3/c1-39-30(31)26(38)35-24(25(36)37)22(18-40-27(30)35)41-28(42-23-17-32-34-33-23)29(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17,27-28H,18,31H2,1H3,(H,36,37)(H,32,33,34)