2-[(5E)-5-[(5-nitro-2-piperidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(5-nitro-2-piperidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[[5-nitro-2-(1-piperidyl)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[[5-nitro-2-(1-piperidinyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(5-nitro-2-piperidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-4-keto-5-(5-nitro-2-piperidino-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)CC(=O)O

InChI

InChI=1S/C17H17N3O5S2/c21-15(22)10-19-16(23)14(27-17(19)26)9-11-8-12(20(24)25)4-5-13(11)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10H2,(H,21,22)/b14-9+