(4-chlorophenyl)methylsulfanylmethyl quinoline-3-carboxylate

Systemtic Name: (4-chlorophenyl)methylsulfanylmethyl quinoline-3-carboxylate Openeye Name: (4-chlorophenyl)methylsulfanylmethyl quinoline-3-carboxylate CAS Name: 3-quinolinecarboxylic acid [(4-chlorophenyl)methylthio]methyl ester IUPAC Name: (4-chlorophenyl)methylsulfanylmethyl quinoline-3-carboxylate Traditional Name: quinoline-3-carboxylic acid [(4-chlorobenzyl)thio]methyl ester Formula: C18H14ClNO2S MolecularWeight: 343.82726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO2S/c19-16-7-5-13(6-8-16)11-23-12-22-18(21)15-9-14-3-1-2-4-17(14)20-10-15/h1-10H,11-12H2