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

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-methoxy-phenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-methoxy-phenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]thio]-6-methoxyphenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]sulfanyl-6-methoxyphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]thio]-6-methoxy-phenol Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3O)OC

Isomeric SMILES

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3O)OC

InChI

InChI=1S/C20H25NO3S2/c1-13(11-25-18-9-5-7-16(23-2)19(18)22)10-14-12-26-17-8-4-3-6-15(17)24-20(14)21/h3-9,13-14,20,22H,10-12,21H2,1-2H3