Einecs 257-678-8
3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: EINECS 257-678-8|3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R-CIS)-3-(ACETOXYMETHYL)-7-METHOXY-8-OXO-7-(2-THIENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, cis-|cis-(1)-3-(Acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
| Molecular Formula | C17H18N2O7S2 |
|---|---|
| Molecular Weight | 426.05554 g/mol |
| LogP | 0.57 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.05554 |
| Heavy Atoms | 28 |
| Complexity | 851.7 |
Chemical Identifiers
| CAS Number | 52128-53-7 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OC)SC1)C(=O)O |
Product Overview
Einecs 257-678-8 (CAS 52128-53-7), with molecular formula C17H18N2O7S2 and molecular weight 426.05554 g/mol. IUPAC: 3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
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