Methyl [(2-aminophenyl)sulfanyl](3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate

HCID 327641

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Basic information

CAS: 54255-29-7
Standard SMILES: COC(=O)C(Sc1ccccc1N)C1SC(=S)N(Cc2ccccc2)C1=O
InChIKey: LWPUVMFRRQVRAK-UHFFFAOYSA-N
Molecular formula: C19H18N2O3S3
Average molar mass: 418.6 g/mol
Monoisotopic mass: 418.04795596

Names & identifiers

Preferred name: Methyl [(2-aminophenyl)sulfanyl](3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
IUPAC: methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate

Names & synonyms

54255-29-7NSC303568DTXSID90316440NSC-303568Methyl [(2-aminophenyl)sulfanyl](3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetateDS-011394methyl 2-(2-aminophenyl)sulfanyl-2-(3-benzyl-4-oxo-2-sulfanylidene-thiazolidin-5-yl)acetate

Database identifiers

CAS: 54255-29-7
PubChem CID: 327641
DTXSID: DTXSID90316440

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 155 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 568

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