methyl 3-[3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[[3-(4-chlorophenyl)sulfonyl-6-methoxy-4-quinolyl]sulfanyl]propanoate CAS Name: 3-[[3-(4-chlorophenyl)sulfonyl-6-methoxy-4-quinolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[3-(4-chlorophenyl)sulfonyl-6-methoxy-4-quinolyl]thio]propionic acid methyl ester Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)SCCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)SCCC(=O)OC

InChI

InChI=1S/C20H18ClNO5S2/c1-26-14-5-8-17-16(11-14)20(28-10-9-19(23)27-2)18(12-22-17)29(24,25)15-6-3-13(21)4-7-15/h3-8,11-12H,9-10H2,1-2H3