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

Systemtic Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanyl-6-methyl-phenol Openeye Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanyl-6-methyl-phenol CAS Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]thio]-6-methylphenol IUPAC Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]sulfanyl-6-methylphenol Traditional Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-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)CNC2COC3=CC=CC=C3SC2)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S2/c1-14(12-24-19-9-5-6-15(2)20(19)22)10-21-16-11-23-17-7-3-4-8-18(17)25-13-16/h3-9,14,16,21-22H,10-13H2,1-2H3/t14-,16+/m0/s1