2-methyl-6-[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]sulfanyl-phenol

Systemtic Name: 2-methyl-6-[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]sulfanyl-phenol Openeye Name: 2-methyl-6-[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]sulfanyl-phenol CAS Name: 2-methyl-6-[[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]thio]phenol IUPAC Name: 2-methyl-6-[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]sulfanylphenol Traditional Name: 2-methyl-6-[[(2S)-2-methyl-3-[[(3R)-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]propyl]thio]phenol Formula: C21H27NO2S2 MolecularWeight: 389.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC(C)CNC2COC3=CC=CC(=C3SC2)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)SC[C@@H](C)CN[C@@H]2COC3=CC=CC(=C3SC2)C)O

InChI

InChI=1S/C21H27NO2S2/c1-14(12-25-19-9-5-6-15(2)20(19)23)10-22-17-11-24-18-8-4-7-16(3)21(18)26-13-17/h4-9,14,17,22-23H,10-13H2,1-3H3/t14-,17+/m0/s1