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

Systemtic Name: 3-[2-[[2-(methoxymethoxy)-3-methyl-phenyl]sulfanylmethyl]-3-methyl-butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[2-[[2-(methoxymethoxy)-3-methyl-phenyl]sulfanylmethyl]-3-methyl-butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[2-[[[2-(methoxymethoxy)-3-methylphenyl]thio]methyl]-3-methylbutyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[2-[[2-(methoxymethoxy)-3-methylphenyl]sulfanylmethyl]-3-methylbutyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[2-[[[2-(methoxymethoxy)-3-methyl-phenyl]thio]methyl]-3-methyl-butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C24H33NO3S2 MolecularWeight: 447.65372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO3S2/c1-16(2)18(13-30-22-11-7-8-17(3)23(22)27-15-26-4)12-19-14-29-21-10-6-5-9-20(21)28-24(19)25/h5-11,16,18-19,24H,12-15,25H2,1-4H3