methyl 4-(quinolin-8-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(quinolin-8-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(8-quinolylsulfanylmethyl)benzoate CAS Name: 4-[(8-quinolinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(quinolin-8-ylsulfanylmethyl)benzoate Traditional Name: 4-[(8-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=C(C=C1)CSC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=CC=CC3=C2N=CC=C3

InChI

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