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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-ethylbenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO2S MolecularWeight: 371.88042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C20H18ClNO2S/c1-3-13-4-6-14(7-5-13)20(23)24-12-16-10-15-8-9-17(25-2)11-18(15)22-19(16)21/h4-11H,3,12H2,1-2H3