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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-9-5-14(22-19-9)16(20)21-8-11-6-10-3-4-12(23-2)7-13(10)18-15(11)17/h3-7H,8H2,1-2H3