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

Systemtic Name: 8-chloranyl-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 8-chloro-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 8-chloro-3-(ethylthio)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-3-ethylsulfanyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 8-chloro-3-(ethylthio)-2-phenyl-cinchoninic acid Formula: C18H14ClNO2S MolecularWeight: 343.82726

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C2C(=C1C(=O)O)C=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCSC1=C(N=C2C(=C1C(=O)O)C=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO2S/c1-2-23-17-14(18(21)22)12-9-6-10-13(19)16(12)20-15(17)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,21,22)