2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanylphenol

Systemtic Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanylphenol Openeye Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanylphenol CAS Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]thio]phenol IUPAC Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]sulfanylphenol Traditional Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]thio]phenol Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3O

InChI

InChI=1S/C19H23NO2S2/c1-14(12-23-18-8-4-2-6-16(18)21)10-20-15-11-22-17-7-3-5-9-19(17)24-13-15/h2-9,14-15,20-21H,10-13H2,1H3/t14-,15+/m0/s1