p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-toluene-p-sulfonyloxyethylidene)acetate

HCID 86735546
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Basic information

Standard SMILES
CC(OS(=O)(=O)c1ccc(C)cc1)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21
InChIKey
UUAJLVKXFCJHSZ-UHFFFAOYSA-N
Molecular formula
C29H25N3O9S2
Average molar mass
623.7 g/mol
Monoisotopic mass
623.10322173

Names & identifiers

Preferred name
p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-toluene-p-sulfonyloxyethylidene)acetate
IUPAC
(4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonyloxy-2-[7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoate

Names & synonyms

UUAJLVKXFCJHSZ-UHFFFAOYSA-Np-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-toluene-p-sulfonyloxyethylidene)acetate

Database identifiers

PubChem CID
86735546

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
191 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
43

Related reactions

7 records
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Compound notes

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