(2S)-2-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5E)-5-(4-formylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-(methylthio)butyrate Formula: C16H14NO4S3- MolecularWeight: 380.48166

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])N1C(=O)C(=CC2=CC=C(C=C2)C=O)SC1=S

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=CC=C(C=C2)C=O)/SC1=S

InChI

InChI=1S/C16H15NO4S3/c1-23-7-6-12(15(20)21)17-14(19)13(24-16(17)22)8-10-2-4-11(9-18)5-3-10/h2-5,8-9,12H,6-7H2,1H3,(H,20,21)/p-1/b13-8+/t12-/m0/s1