methyl 4-[(2-methylquinolin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-methylquinolin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-methyl-4-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-methyl-4-quinolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylquinolin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-methyl-4-quinolyl)thio]methyl]benzoic acid methyl ester Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17NO2S/c1-13-11-18(16-5-3-4-6-17(16)20-13)23-12-14-7-9-15(10-8-14)19(21)22-2/h3-11H,12H2,1-2H3