2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-6-methyl-phenol

Systemtic Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-6-methyl-phenol Openeye Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]sulfanyl-6-methyl-phenol CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methylpropyl]thio]-6-methylphenol IUPAC Name: 2-[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methylpropyl]sulfanyl-6-methylphenol Traditional Name: 2-[[3-(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)-2-methyl-propyl]thio]-6-methyl-phenol Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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