2-(1-benzofuran-2-yl)-3,5-bis(2-methyl-1,3-thiazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-3,5-bis(2-methyl-1,3-thiazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3,5-bis(2-methylthiazol-4-yl)-6-oxo-pyran-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3,5-bis(2-methyl-4-thiazolyl)-6-oxo-4-pyrancarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3,5-bis(2-methyl-1,3-thiazol-4-yl)-6-oxopyran-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-6-keto-3,5-bis(2-methylthiazol-4-yl)pyran-4-carboxylic acid Formula: C22H14N2O5S2 MolecularWeight: 450.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CSC(=N5)C)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CSC(=N5)C)C(=O)O

InChI

InChI=1S/C22H14N2O5S2/c1-10-23-13(8-30-10)17-19(21(25)26)18(14-9-31-11(2)24-14)22(27)29-20(17)16-7-12-5-3-4-6-15(12)28-16/h3-9H,1-2H3,(H,25,26)