methyl 8-hexylsulfanylquinoline-5-carboxylate

Systemtic Name: methyl 8-hexylsulfanylquinoline-5-carboxylate Openeye Name: methyl 8-hexylsulfanylquinoline-5-carboxylate CAS Name: 8-(hexylthio)-5-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-hexylsulfanylquinoline-5-carboxylate Traditional Name: 8-(hexylthio)quinoline-5-carboxylic acid methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C2C(=C(C=C1)C(=O)OC)C=CC=N2

Isomeric SMILES

CCCCCCSC1=C2C(=C(C=C1)C(=O)OC)C=CC=N2

InChI

InChI=1S/C17H21NO2S/c1-3-4-5-6-12-21-15-10-9-14(17(19)20-2)13-8-7-11-18-16(13)15/h7-11H,3-6,12H2,1-2H3