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

Systemtic Name: 2-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-4-keto-5-(5-nitro-2-pyrrolidino-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)CC(=O)O

InChI

InChI=1S/C16H15N3O5S2/c20-14(21)9-18-15(22)13(26-16(18)25)8-10-7-11(19(23)24)3-4-12(10)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,9H2,(H,20,21)/b13-8+