2-[5-[[3-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate

Systemtic Name: 2-[5-[[3-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Openeye Name: 2-[5-[[3-methoxy-4-(2-oxido-2-oxo-ethoxy)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioate CAS Name: 2-[5-[[3-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioate IUPAC Name: 2-[5-[[3-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Traditional Name: 2-[4-keto-5-[4-(2-keto-2-oxido-ethoxy)-3-methoxy-benzylidene]-2-thioxo-thiazolidin-3-yl]succinate Formula: C17H12NO9S2-3 MolecularWeight: 438.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO9S2/c1-26-11-4-8(2-3-10(11)27-7-14(21)22)5-12-15(23)18(17(28)29-12)9(16(24)25)6-13(19)20/h2-5,9H,6-7H2,1H3,(H,19,20)(H,21,22)(H,24,25)/p-3