methyl 3-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-phenylsulfanyl-propanoate

Systemtic Name: methyl 3-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-phenylsulfanyl-propanoate Openeye Name: methyl 3-[7-[(4-chlorophenyl)methoxy]-3-quinolyl]-2-phenylsulfanyl-propanoate CAS Name: 3-[7-[(4-chlorophenyl)methoxy]-3-quinolinyl]-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 3-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-phenylsulfanylpropanoate Traditional Name: 3-[7-(4-chlorobenzyl)oxy-3-quinolyl]-2-(phenylthio)propionic acid methyl ester Formula: C26H22ClNO3S MolecularWeight: 463.97578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO3S/c1-30-26(29)25(32-23-5-3-2-4-6-23)14-19-13-20-9-12-22(15-24(20)28-16-19)31-17-18-7-10-21(27)11-8-18/h2-13,15-16,25H,14,17H2,1H3