methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[3-(4-chlorophenyl)-2-quinolyl]sulfanyl]benzoate CAS Name: 2-[[3-(4-chlorophenyl)-2-quinolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate Traditional Name: 2-[[3-(4-chlorophenyl)-2-quinolyl]thio]benzoic acid methyl ester Formula: C23H16ClNO2S MolecularWeight: 405.89664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC3=CC=CC=C3C=C2C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC3=CC=CC=C3C=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16ClNO2S/c1-27-23(26)18-7-3-5-9-21(18)28-22-19(15-10-12-17(24)13-11-15)14-16-6-2-4-8-20(16)25-22/h2-14H,1H3