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

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

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

Isomeric SMILES

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

InChI

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