2-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5Z)-5-[(8-methoxy-2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5Z)-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5Z)-4-keto-5-[(8-methoxy-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C16H15NO6S3 MolecularWeight: 413.4884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O

InChI

InChI=1S/C16H15NO6S3/c1-22-12-4-2-3-11-7-10(9-23-14(11)12)8-13-15(18)17(16(24)25-13)5-6-26(19,20)21/h2-4,7-8H,5-6,9H2,1H3,(H,19,20,21)/b13-8-