2-methyl-5-oxidanylidene-3-propanethioyl-6H-1-benzofuran-4-carboxylic acid

Systemtic Name: 2-methyl-5-oxidanylidene-3-propanethioyl-6H-1-benzofuran-4-carboxylic acid Openeye Name: 2-methyl-5-oxo-3-propanethioyl-6H-benzofuran-4-carboxylic acid CAS Name: 2-methyl-5-oxo-3-(1-sulfanylidenepropyl)-6H-benzofuran-4-carboxylic acid IUPAC Name: 2-methyl-5-oxo-3-propanethioyl-6H-1-benzofuran-4-carboxylic acid Traditional Name: 5-keto-2-methyl-3-propanethioyl-6H-benzofuran-4-carboxylic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C1=C(OC2=CCC(=O)C(=C21)C(=O)O)C

Isomeric SMILES

CCC(=S)C1=C(OC2=CCC(=O)C(=C21)C(=O)O)C

InChI

InChI=1S/C13H12O4S/c1-3-9(18)10-6(2)17-8-5-4-7(14)11(12(8)10)13(15)16/h5H,3-4H2,1-2H3,(H,15,16)