3-[2-[(2-methoxyphenyl)sulfanylmethyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

Systemtic Name: 3-[2-[(2-methoxyphenyl)sulfanylmethyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Openeye Name: 3-[2-[(2-methoxyphenyl)sulfanylmethyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine CAS Name: 3-[2-[[(2-methoxyphenyl)thio]methyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine IUPAC Name: 3-[2-[(2-methoxyphenyl)sulfanylmethyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine Traditional Name: [3-[2-[[(2-methoxyphenyl)thio]methyl]pentyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl]amine Formula: C22H29NO2S2 MolecularWeight: 403.60116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3OC

Isomeric SMILES

CCCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3OC

InChI

InChI=1S/C22H29NO2S2/c1-3-8-16(14-26-20-11-6-4-9-18(20)24-2)13-17-15-27-21-12-7-5-10-19(21)25-22(17)23/h4-7,9-12,16-17,22H,3,8,13-15,23H2,1-2H3