2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate

Systemtic Name: 2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate Openeye Name: 2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate CAS Name: 2-[(4-ethylphenyl)thio]-4-quinolinecarboxylate IUPAC Name: 2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate Traditional Name: 2-[(4-ethylphenyl)thio]cinchoninate Formula: C18H14NO2S- MolecularWeight: 308.37426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H15NO2S/c1-2-12-7-9-13(10-8-12)22-17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)/p-1