2-[4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(2-furylmethylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-(2-furanylmethylthio)-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(2-furfurylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CO4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CO4)C(=O)O

InChI

InChI=1S/C23H18N2O4S/c26-22(14-30-13-17-4-3-11-29-17)24-16-9-7-15(8-10-16)21-12-19(23(27)28)18-5-1-2-6-20(18)25-21/h1-12H,13-14H2,(H,24,26)(H,27,28)