4-methyl-5-propanethioyl-oxireno[2,3-f][1]benzofuran-6-carboxylic acid

Systemtic Name: 4-methyl-5-propanethioyl-oxireno[2,3-f][1]benzofuran-6-carboxylic acid Openeye Name: 4-methyl-5-propanethioyl-oxireno[2,3-f]benzofuran-6-carboxylic acid CAS Name: 4-methyl-5-(1-sulfanylidenepropyl)-6-oxireno[2,3-f]benzofurancarboxylic acid IUPAC Name: 4-methyl-5-propanethioyloxireno[2,3-f][1]benzofuran-6-carboxylic acid Traditional Name: 4-methyl-5-propanethioyl-oxireno[2,3-f]benzofuran-6-carboxylic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C1=C(OC2=CC3=C(O3)C(=C21)C(=O)O)C

Isomeric SMILES

CCC(=S)C1=C(OC2=CC3=C(O3)C(=C21)C(=O)O)C

InChI

InChI=1S/C13H10O4S/c1-3-8(18)9-5(2)16-6-4-7-12(17-7)11(10(6)9)13(14)15/h4H,3H2,1-2H3,(H,14,15)