3-[3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(C(CS2)CC(C)CSC3=CC=CC=C3OC)N

Isomeric SMILES

CC1=C2C(=CC=C1)OC(C(CS2)CC(C)CSC3=CC=CC=C3OC)N

InChI

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