2-[4-[4-[2,3-bis(oxidanyl)propoxy]phenyl]-3-methoxy-quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[4-[4-[2,3-bis(oxidanyl)propoxy]phenyl]-3-methoxy-quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[4-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxy-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[4-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxy-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxyquinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[4-(4-glyceryloxyphenyl)-3-methoxy-2-quinolyl]thio]acetaldehyde Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2N=C1SCC=O)C3=CC=C(C=C3)OCC(CO)O

Isomeric SMILES

COC1=C(C2=CC=CC=C2N=C1SCC=O)C3=CC=C(C=C3)OCC(CO)O

InChI

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