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

Systemtic Name: 2-[5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-(4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl)ethanesulfonic acid Formula: C13H13NO6S3 MolecularWeight: 375.44042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6S3/c1-20-10-6-8(2-3-9(10)15)7-11-12(16)14(13(21)22-11)4-5-23(17,18)19/h2-3,6-7,15H,4-5H2,1H3,(H,17,18,19)