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

Systemtic Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanyl-6-propan-2-yl-phenol Openeye Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]sulfanyl-6-isopropyl-phenol CAS Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]thio]-6-propan-2-ylphenol IUPAC Name: 2-[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methylpropyl]sulfanyl-6-propan-2-ylphenol Traditional Name: 2-[[(2S)-3-[[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amino]-2-methyl-propyl]thio]-6-isopropyl-phenol Formula: C22H29NO2S2 MolecularWeight: 403.60116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2S2/c1-15(2)18-7-6-10-21(22(18)24)26-13-16(3)11-23-17-12-25-19-8-4-5-9-20(19)27-14-17/h4-10,15-17,23-24H,11-14H2,1-3H3/t16-,17+/m0/s1