(5-(2-Methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid

HCID 3235

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Basic information

Standard SMILES: CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O
InChIKey: CHNUOJQWGUIOLD-UHFFFAOYSA-N
Molecular formula: C15H13NO3S2
Average molar mass: 319.4 g/mol
Monoisotopic mass: 319.03368562

Names & identifiers

Preferred name: (5-(2-Methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
IUPAC: 2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Names & synonyms

DTXSID30861045[5-(2-Methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid(5-(2-Methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acidRefChem:1050553DTXCID80810346EpalrestateEpalrestat (E,Z)-IsomerC15H13NO3S2s2035Epalrestat (Z,Z)-IsomerSCHEMBL49049CHEMBL3182641

Show more names

(Z,Z)-5-(2-Methyl-3-phenyl-propenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic AcidHMS3655N11AKOS030228616SB173862-[5-(2-methyl-3-phenyl-prop-2-enylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acidNCGC00164613-03

Database identifiers

PubChem CID: 3235
DTXSID: DTXSID30861045
ChEMBL: CHEMBL3182641

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 519

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