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

HCID 5477017

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Basic information

CAS: 65562-41-6
Standard SMILES: CC(=O)OCC1OC(N2C(=O)/C(=C/c3ccc4ccccc4c3)SC2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: HOPIENTYEUZPIV-UUYOSTAYSA-N
Molecular formula: C28H27NO10S2
Average molar mass: 601.6 g/mol
Monoisotopic mass: 601.10763841

Names & identifiers

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

Names & synonyms

NSC28417765562-41-6DTXSID70420413NSC-284177(5Z)-5-[(Naphthalen-2-yl)methylidene]-2-sulfanylidene-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-thiazolidin-4-one

Database identifiers

CAS: 65562-41-6
PubChem CID: 5477017
DTXSID: DTXSID70420413

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 192 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 11
Heavy atoms: 41
Formal charge: 0
Complexity: 1,110

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