6-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-[(2-methylcoumaran-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C19H21NO4S2/c1-12-9-14-10-13(6-7-15(14)24-12)11-16-18(23)20(19(25)26-16)8-4-2-3-5-17(21)22/h6-7,10-12H,2-5,8-9H2,1H3,(H,21,22)/b16-11+