2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-oxidanyl-propyl]sulfanylphenol

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-oxidanyl-propyl]sulfanylphenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-hydroxy-propyl]sulfanylphenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-hydroxypropyl]thio]phenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-hydroxypropyl]sulfanylphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-hydroxy-propyl]thio]phenol Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC=CC=C2S1)N)CC(CSC3=CC=CC=C3O)O

Isomeric SMILES

C1C(C(OC2=CC=CC=C2S1)N)CC(CSC3=CC=CC=C3O)O

InChI

InChI=1S/C18H21NO3S2/c19-18-12(10-23-17-8-4-2-6-15(17)22-18)9-13(20)11-24-16-7-3-1-5-14(16)21/h1-8,12-13,18,20-21H,9-11,19H2