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

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-methyl-phenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-methyl-phenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]thio]-6-methylphenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]sulfanyl-6-methylphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-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)CC2CSC3=CC=CC=C3OC2N)O

Isomeric SMILES

CC1=C(C(=CC=C1)SCC(C)CC2CSC3=CC=CC=C3OC2N)O

InChI

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