methyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,8-dimethyl-2-quinolyl)thio]methyl]benzoic acid methyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19NO2S/c1-13-5-4-6-17-14(2)11-18(21-19(13)17)24-12-15-7-9-16(10-8-15)20(22)23-3/h4-11H,12H2,1-3H3