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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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