2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-3-methyl-phenol

Systemtic Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-3-methyl-phenol Openeye Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-3-methyl-phenol CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methylpropyl]thio]-3-methylphenol IUPAC Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methylpropyl]sulfanyl-3-methylphenol Traditional Name: 2-[[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]thio]-3-methyl-phenol Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)O)SCC(C)CNC2CCSC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=CC=C1)O)SCC(C)CNC2CCSC3=CC=CC=C3O2

InChI

InChI=1S/C20H25NO2S2/c1-14(13-25-20-15(2)6-5-7-16(20)22)12-21-19-10-11-24-18-9-4-3-8-17(18)23-19/h3-9,14,19,21-22H,10-13H2,1-2H3