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

HCID 5477013

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Basic information

CAS: 65562-34-7
Standard SMILES: CC(=O)OCC1OC(N2C(=O)/C(=C/c3ccc(Br)s3)SC2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: INTTWHIIIGFJPG-CHHVJCJISA-N
Molecular formula: C22H22BrNO10S3
Average molar mass: 636.5 g/mol
Monoisotopic mass: 634.95892

Names & identifiers

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

Names & synonyms

NSC28417165562-34-7DTXSID80420409NSC-284171(5Z)-5-[(5-Bromothiophen-2-yl)methylidene]-2-sulfanylidene-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-thiazolidin-4-one

Database identifiers

CAS: 65562-34-7
PubChem CID: 5477013
DTXSID: DTXSID80420409

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 220 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 13
Rotatable bonds: 11
Heavy atoms: 37
Formal charge: 0
Complexity: 1,010

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