3-butyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one

Systemtic Name: 3-butyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one Openeye Name: 3-butyl-6-(2-quinolylmethoxy)thiochroman-4-one CAS Name: 3-butyl-6-(2-quinolinylmethoxy)-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-butyl-6-(quinolin-2-ylmethoxy)-2,3-dihydrothiochromen-4-one Traditional Name: 3-butyl-6-(2-quinolylmethoxy)thiochroman-4-one Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCC1CSC2=C(C1=O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23NO2S/c1-2-3-6-17-15-27-22-12-11-19(13-20(22)23(17)25)26-14-18-10-9-16-7-4-5-8-21(16)24-18/h4-5,7-13,17H,2-3,6,14-15H2,1H3