2-(furan-2-ylmethylsulfanyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)quinoline-4-carboxylic acid Openeye Name: 2-(2-furylmethylsulfanyl)quinoline-4-carboxylic acid CAS Name: 2-(2-furanylmethylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-(furan-2-ylmethylsulfanyl)quinoline-4-carboxylic acid Traditional Name: 2-(2-furfurylthio)cinchoninic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C15H11NO3S/c17-15(18)12-8-14(20-9-10-4-3-7-19-10)16-13-6-2-1-5-11(12)13/h1-8H,9H2,(H,17,18)