[3,4,5-triacetyloxy-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate

HCID 5477012

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Basic information

CAS: 65562-31-4
Standard SMILES: CC(=O)OCC1OC(N2C(=O)/C(=C/c3cccs3)SC2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: FWWBZKSEAXZRPH-PXNMLYILSA-N
Molecular formula: C22H23NO10S3
Average molar mass: 557.6 g/mol
Monoisotopic mass: 557.04840945

Names & identifiers

Preferred name: [3,4,5-triacetyloxy-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate
IUPAC: [3,4,5-triacetyloxy-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]oxan-2-yl]methyl acetate

Names & synonyms

NSC28417065562-31-4DTXSID20420408NSC-284170(5Z)-2-Sulfanylidene-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

Database identifiers

CAS: 65562-31-4
PubChem CID: 5477012
DTXSID: DTXSID20420408

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 220 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 13
Rotatable bonds: 11
Heavy atoms: 36
Formal charge: 0
Complexity: 970

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