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

Systemtic Name: 3-[3-[2-(methoxymethoxy)-3-methyl-phenyl]sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[3-[2-(methoxymethoxy)-3-methyl-phenyl]sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[3-[[2-(methoxymethoxy)-3-methylphenyl]thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[3-[2-(methoxymethoxy)-3-methylphenyl]sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[3-[[2-(methoxymethoxy)-3-methyl-phenyl]thio]-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S2/c1-15(12-27-20-10-6-7-16(2)21(20)25-14-24-3)11-17-13-28-19-9-5-4-8-18(19)26-22(17)23/h4-10,15,17,22H,11-14,23H2,1-3H3