(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-methylbenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-methylbenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H16ClNO2S MolecularWeight: 357.85384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO2S/c1-12-3-5-13(6-4-12)19(22)23-11-15-9-14-7-8-16(24-2)10-17(14)21-18(15)20/h3-10H,11H2,1-2H3