3-(2,3-dihydro-1-benzofuran-7-ylsulfanyl)-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-7-ylsulfanyl)-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Openeye Name: 3-(2,3-dihydrobenzofuran-7-ylsulfanyl)-N-isobutyl-2,4-dihydro-1,5-benzoxathiepin-3-amine CAS Name: 3-(2,3-dihydrobenzofuran-7-ylthio)-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine IUPAC Name: 3-(2,3-dihydro-1-benzofuran-7-ylsulfanyl)-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Traditional Name: [3-(coumaran-7-ylthio)-2,4-dihydro-1,5-benzoxathiepin-3-yl]-isobutyl-amine Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC4=C3OCC4

Isomeric SMILES

CC(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC4=C3OCC4

InChI

InChI=1S/C21H25NO2S2/c1-15(2)12-22-21(13-24-17-7-3-4-8-18(17)25-14-21)26-19-9-5-6-16-10-11-23-20(16)19/h3-9,15,22H,10-14H2,1-2H3