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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)SCC(C)CNC2COC3=CC=CC=C3SC2)O

Isomeric SMILES

CCC1=C(C(=CC=C1)SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2)O

InChI

InChI=1S/C21H27NO2S2/c1-3-16-7-6-10-20(21(16)23)25-13-15(2)11-22-17-12-24-18-8-4-5-9-19(18)26-14-17/h4-10,15,17,22-23H,3,11-14H2,1-2H3/t15-,17+/m0/s1