1-[4-[2,3-bis(oxidanyl)propoxy]-3-methoxy-phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[2,3-bis(oxidanyl)propoxy]-3-methoxy-phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydroxypropoxy)-3-methoxy-phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dihydroxypropoxy)-3-methoxyphenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydroxypropoxy)-3-methoxyphenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-(4-glyceryloxy-3-methoxy-phenyl)-2-(4-quinolylthio)ethanone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)CSC2=CC=NC3=CC=CC=C32)OCC(CO)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)CSC2=CC=NC3=CC=CC=C32)OCC(CO)O

InChI

InChI=1S/C21H21NO5S/c1-26-20-10-14(6-7-19(20)27-12-15(24)11-23)18(25)13-28-21-8-9-22-17-5-3-2-4-16(17)21/h2-10,15,23-24H,11-13H2,1H3