2-[5-[(3-methoxy-4-methylsulfonyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[(3-methoxy-4-methylsulfonyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[(3-methoxy-4-methylsulfonyloxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[(3-methoxy-4-methylsulfonyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[(3-methoxy-4-methylsulfonyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(3-methoxy-4-methylsulfonyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C14H13NO7S3 MolecularWeight: 403.45052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C14H13NO7S3/c1-21-10-5-8(3-4-9(10)22-25(2,19)20)6-11-13(18)15(7-12(16)17)14(23)24-11/h3-6H,7H2,1-2H3,(H,16,17)