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

Systemtic Name: 2-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(4-formylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C13H10NO5S3- MolecularWeight: 356.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])C=O

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])C=O

InChI

InChI=1S/C13H11NO5S3/c15-8-10-3-1-9(2-4-10)7-11-12(16)14(13(20)21-11)5-6-22(17,18)19/h1-4,7-8H,5-6H2,(H,17,18,19)/p-1/b11-7+