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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S2/c1-2-3-12(15(20)21)17-14(19)13(23-16(17)22)8-10-4-6-11(9-18)7-5-10/h4-9,12H,2-3H2,1H3,(H,20,21)/p-1/b13-8+/t12-/m0/s1