3-[(5E)-5-[[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5E)-5-[[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5E)-5-[[3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-[[3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5E)-5-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-4-keto-5-[4-(2-keto-2-piperidino-ethoxy)-3-methoxy-benzylidene]-2-thioxo-thiazolidin-3-yl]propionate Formula: C21H23N2O6S2- MolecularWeight: 463.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)[O-])OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)[O-])OCC(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O6S2/c1-28-16-11-14(12-17-20(27)23(21(30)31-17)10-7-19(25)26)5-6-15(16)29-13-18(24)22-8-3-2-4-9-22/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,25,26)/p-1/b17-12+