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

Systemtic Name: (2S)-2-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: (2S)-2-[(5E)-5-(4-formylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C17H16NO4S2- MolecularWeight: 362.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S2/c1-2-3-4-13(16(21)22)18-15(20)14(24-17(18)23)9-11-5-7-12(10-19)8-6-11/h5-10,13H,2-4H2,1H3,(H,21,22)/p-1/b14-9+/t13-/m0/s1