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

Systemtic Name: 3-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-4-keto-5-[(2-methylcoumaran-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H15NO4S2 MolecularWeight: 349.4246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S2/c1-9-6-11-7-10(2-3-12(11)21-9)8-13-15(20)17(16(22)23-13)5-4-14(18)19/h2-3,7-9H,4-6H2,1H3,(H,18,19)/b13-8+