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

Systemtic Name: 2-[(5E)-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(4-morpholino-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-4-keto-5-(4-morpholino-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S2/c20-14(21)9-18-15(22)13(27-16(18)26)8-10-1-2-11(12(7-10)19(23)24)17-3-5-25-6-4-17/h1-2,7-8H,3-6,9H2,(H,20,21)/b13-8+