(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-28-14-7-6-12-8-13(20(22)24-17(12)9-14)11-27-21(26)18-10-19(25)15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,23,25)