6-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-phenethyl-2,3-dihydro-1-benzofuran-5-ol

Systemtic Name: 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-phenethyl-2,3-dihydro-1-benzofuran-5-ol Openeye Name: 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-phenethyl-2,3-dihydrobenzofuran-5-ol CAS Name: 6-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-phenethyl-2,3-dihydrobenzofuran-5-ol IUPAC Name: 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-phenethyl-2,3-dihydro-1-benzofuran-5-ol Traditional Name: 6-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-phenethyl-coumaran-5-ol Formula: C26H25NO2S2 MolecularWeight: 447.6122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC(=C(C=C21)O)CCCSC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC(=C(C=C21)O)CCCSC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

InChI

InChI=1S/C26H25NO2S2/c28-23-16-20-15-21(13-12-18-7-2-1-3-8-18)29-24(20)17-19(23)9-6-14-30-26-27-22-10-4-5-11-25(22)31-26/h1-5,7-8,10-11,16-17,21,28H,6,9,12-15H2