6-[(2-chloranyl-5-methylsulfanyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2-chloranyl-5-methylsulfanyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-chloro-5-methylsulfanyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[[2-chloro-5-(methylthio)phenyl]methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-chloro-5-methylsulfanylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[2-chloro-5-(methylthio)benzyl]-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C20H18ClNO4S/c1-27-14-3-4-17(21)13(10-14)8-12-2-5-18-15(9-12)19(24)16(20(25)26)11-22(18)6-7-23/h2-5,9-11,23H,6-8H2,1H3,(H,25,26)