3-(furan-2-ylmethylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(2-furylmethylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(2-furanylmethylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(furan-2-ylmethylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2-furfurylthio)methyl]benzothiophene-2-carboxylic acid Formula: C15H12O3S2 MolecularWeight: 304.38398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSCC3=CC=CO3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSCC3=CC=CO3

InChI

InChI=1S/C15H12O3S2/c16-15(17)14-12(9-19-8-10-4-3-7-18-10)11-5-1-2-6-13(11)20-14/h1-7H,8-9H2,(H,16,17)