2-methoxy-3-(phenylmethyl)-6-quinolin-2-yl-2,3-dihydrothiochromen-4-one

Systemtic Name: 2-methoxy-3-(phenylmethyl)-6-quinolin-2-yl-2,3-dihydrothiochromen-4-one Openeye Name: 3-benzyl-2-methoxy-6-(2-quinolyl)thiochroman-4-one CAS Name: 2-methoxy-3-(phenylmethyl)-6-(2-quinolinyl)-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-benzyl-2-methoxy-6-quinolin-2-yl-2,3-dihydrothiochromen-4-one Traditional Name: 3-benzyl-2-methoxy-6-(2-quinolyl)thiochroman-4-one Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(=O)C2=C(S1)C=CC(=C2)C3=NC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

COC1C(C(=O)C2=C(S1)C=CC(=C2)C3=NC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C26H21NO2S/c1-29-26-21(15-17-7-3-2-4-8-17)25(28)20-16-19(12-14-24(20)30-26)23-13-11-18-9-5-6-10-22(18)27-23/h2-14,16,21,26H,15H2,1H3