2-[(4-methylphenyl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: 2-(p-tolylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 2-[[(4-methylphenyl)thio]methyl]-3-quinolinecarboxylate IUPAC Name: 2-[(4-methylphenyl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[(p-tolylthio)methyl]quinoline-3-carboxylate Formula: C18H14NO2S- MolecularWeight: 308.37426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

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