ethyl 5-chloranyl-8-methyl-2-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-8-methyl-2-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 5-chloro-8-methyl-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 5-chloro-8-methyl-2-(methylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-8-methyl-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 5-chloro-4-keto-8-methyl-2-(methylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)C)SC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)C)SC

InChI

InChI=1S/C14H14ClNO3S/c1-4-19-14(18)10-12(17)9-8(15)6-5-7(2)11(9)16-13(10)20-3/h5-6H,4H2,1-3H3,(H,16,17)