quinolin-8-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate

Systemtic Name: quinolin-8-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Openeye Name: 8-quinolyl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylate CAS Name: 3'-methyl-2'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]carboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Traditional Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid 8-quinolyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)OC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)OC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H19NO3S2/c1-13-17-15(8-3-9-21(17)26-11-12-27-21)24-19(13)20(23)25-16-7-2-5-14-6-4-10-22-18(14)16/h2,4-7,10H,3,8-9,11-12H2,1H3