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

Systemtic Name: 3-[2-[[2-(methoxymethoxy)-3-methyl-phenyl]sulfanylmethyl]butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[2-[[2-(methoxymethoxy)-3-methyl-phenyl]sulfanylmethyl]butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[2-[[[2-(methoxymethoxy)-3-methylphenyl]thio]methyl]butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[2-[[2-(methoxymethoxy)-3-methylphenyl]sulfanylmethyl]butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[2-[[[2-(methoxymethoxy)-3-methyl-phenyl]thio]methyl]butyl]-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:

CCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3OCOC)C

Isomeric SMILES

CCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC(=C3OCOC)C

InChI

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