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

Systemtic Name: (2S)-2-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methyl-butanoate Openeye Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoate CAS Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoate IUPAC Name: (2S)-2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoate Traditional Name: (2S)-2-[(5E)-5-(4-formylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-3-methyl-butyrate Formula: C16H14NO4S2- MolecularWeight: 348.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S2/c1-9(2)13(15(20)21)17-14(19)12(23-16(17)22)7-10-3-5-11(8-18)6-4-10/h3-9,13H,1-2H3,(H,20,21)/p-1/b12-7+/t13-/m0/s1