3-[3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

Systemtic Name: 3-[3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[3-(2-methoxyphenyl)sulfanyl-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[3-[(2-methoxyphenyl)thio]-2-methylpropyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[3-[(2-methoxyphenyl)thio]-2-methyl-propyl]-7-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C21H27NO2S2 MolecularWeight: 389.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(CS2)CC(C)CSC3=CC=CC=C3OC)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(C(CS2)CC(C)CSC3=CC=CC=C3OC)N

InChI

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