methyl 3-(quinolin-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(quinolin-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 3-(2-quinolylsulfanylmethyl)benzoate CAS Name: 3-[(2-quinolinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(quinolin-2-ylsulfanylmethyl)benzoate Traditional Name: 3-[(2-quinolylthio)methyl]benzoic acid methyl ester Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H15NO2S/c1-21-18(20)15-7-4-5-13(11-15)12-22-17-10-9-14-6-2-3-8-16(14)19-17/h2-11H,12H2,1H3