1-oxidanylidene-3-(phenylmethyl)-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one

Systemtic Name: 1-oxidanylidene-3-(phenylmethyl)-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one Openeye Name: 3-benzyl-1-oxo-6-(2-quinolylmethoxy)-2,3-dihydrothiochromen-4-one CAS Name: 1-oxo-3-(phenylmethyl)-6-(2-quinolinylmethoxy)-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-benzyl-1-oxo-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one Traditional Name: 3-benzyl-1-keto-6-(2-quinolylmethoxy)-2,3-dihydrothiochromen-4-one Formula: C26H21NO3S MolecularWeight: 427.51484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(S1=O)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)C2=C(S1=O)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C26H21NO3S/c28-26-20(14-18-6-2-1-3-7-18)17-31(29)25-13-12-22(15-23(25)26)30-16-21-11-10-19-8-4-5-9-24(19)27-21/h1-13,15,20H,14,16-17H2