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

HCID 5477010

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Basic information

CAS: 65562-26-7
Standard SMILES: CC(=O)OCC1OC(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: NCNFIPGSFSXSRE-LSCVHKIXSA-N
Molecular formula: C24H23Cl2NO10S2
Average molar mass: 620.5 g/mol
Monoisotopic mass: 619.0140437

Names & identifiers

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

Names & synonyms

NSC28416765562-26-7DTXSID00420406NSC-284167(5Z)-5-[(2,6-Dichlorophenyl)methylidene]-2-sulfanylidene-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-thiazolidin-4-one

Database identifiers

CAS: 65562-26-7
PubChem CID: 5477010
DTXSID: DTXSID00420406

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: 39
Formal charge: 0
Complexity: 1,050

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