3-[3-(2,3-dihydro-1-benzofuran-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC4=C3OCC4

Isomeric SMILES

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC4=C3OCC4

InChI

InChI=1S/C21H25NO2S2/c1-14(12-25-19-8-4-5-15-9-10-23-20(15)19)11-16-13-26-18-7-3-2-6-17(18)24-21(16)22/h2-8,14,16,21H,9-13,22H2,1H3