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

Systemtic Name: 3-[3-[2-(methoxymethoxy)-3-methyl-phenyl]sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[3-[2-(methoxymethoxy)-3-methyl-phenyl]sulfanyl-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[3-[[2-(methoxymethoxy)-3-methylphenyl]thio]-2-methylpropyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[3-[2-(methoxymethoxy)-3-methylphenyl]sulfanyl-2-methylpropyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[3-[[2-(methoxymethoxy)-3-methyl-phenyl]thio]-2-methyl-propyl]-6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C23H31NO3S2 MolecularWeight: 433.62714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S2/c1-15(12-28-20-10-6-7-16(2)21(20)26-14-25-4)11-18-13-29-22-17(3)8-5-9-19(22)27-23(18)24/h5-10,15,18,23H,11-14,24H2,1-4H3