3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(ethylthio)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-ethylsulfanyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(ethylthio)-2-phenyl-cinchoninic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO2S/c1-2-22-17-15(18(20)21)13-10-6-7-11-14(13)19-16(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,21)