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

Systemtic Name: 4-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-[(2-methylcoumaran-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S2/c1-10-7-12-8-11(4-5-13(12)22-10)9-14-16(21)18(17(23)24-14)6-2-3-15(19)20/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,20)/b14-9+