(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-9-15(10(2)23-20-9)17(21)22-8-12-6-11-4-5-13(24-3)7-14(11)19-16(12)18/h4-7H,8H2,1-3H3